SCHEMBL216028

SCHEMBL216028

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C(=O)C[C@@H](CCC(=O)O)C12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
HSD17B1 P14061 2/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
STS P08842 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ESR1 P03372 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 2/20 0.49
ABCC4 O15439 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCC1 P33527 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL216027 1.00 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL19226865 1.00 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216878 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216877 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5022388 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738541 0.94 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5016579 0.93 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738538 0.93 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16384493 0.92 LMNA (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738544 0.91 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105518016-B Therapeutically active estratriene thiazole derivatives as 17 beta-hydroxysteroid dehydrogenase type 1 inhibitors 佛恩多制药有限公司 2020-10-23 CN disclosed
CN-105518017-B Therapeutically active estratriene thiazole derivatives as inhibitors of 17 β -hydroxysteroid dehydrogenase type 1 佛恩多制药有限公司 2020-07-14 CN disclosed
EP-3013845-B1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2020-03-18 EP disclosed
EP-3013847-B1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA.-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2019-08-21 EP disclosed
US-10377791-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17 B-hydroxysteroid dehydrogenase, type 1 FORENDO PHARMA LTD. (FI) 2019-08-13 US disclosed
US-10377791-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17 B-hydroxysteroid dehydrogenase, type 1 FORENDO PHARMA LTD. (FI) 2019-08-13 US disclosed
US-9850272-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17.beta-hydroxy-steroid dehydrogenase, type 1 FORENDO PHARMA LTD. (FI) 2017-12-26 US disclosed
US-9850272-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17.beta-hydroxy-steroid dehydrogenase, type 1 FORENDO PHARMA LTD. (FI) 2017-12-26 US disclosed
US-9850272-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17.beta-hydroxy-steroid dehydrogenase, type 1 FORENDO PHARMA LTD. (FI) 2017-12-26 US disclosed
EP-3013846-B1 THERAPEUTICALLY ACTIVE 17-NITROGEN SUBSTITUTED ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE FORENDO PHARMA LTD (FI) 2017-08-09 EP disclosed
US-20170081356-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2017-03-23 US disclosed
US-20170081356-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2017-03-23 US disclosed
US-20170081356-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2017-03-23 US disclosed
US-20170081357-A1 THERAPEUTICALLY ACTIVE 17-NITROGEN SUBSTITUTED ESTRATREINTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXYSTEROID DEHYDROGENASE FORENDO PHARMA LTD (FI) 2017-03-23 US disclosed
US-20170081357-A1 THERAPEUTICALLY ACTIVE 17-NITROGEN SUBSTITUTED ESTRATREINTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXYSTEROID DEHYDROGENASE FORENDO PHARMA LTD (FI) 2017-03-23 US disclosed
WO-2014207309-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17 B-HYDROXYSTEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2014-12-31 WO disclosed
WO-2014207311-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA.-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2014-12-31 WO disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 LMNA 2693/4885HSD17B1 2/4885MAPT 3025/4885
US-20170081357-A1 THERAPEUTICALLY ACTIVE 17-NITROGEN SUBSTITUTED ESTRATREINTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXYSTEROID DEHYDROGENASE HSD17B11, HSD17B1, HSD17B3 LMNA 2985/4885HSD17B1 2/4885MAPT 2574/4885
US-10377791-B2 Therapeutically active estratrienthiazole derivatives as inhibitors of 17 B-hydroxysteroid dehydrogenase, type 1 HSD17B1, HSD17B11, HSD17B3 LMNA 3383/4885HSD17B1 1/4885MAPT 2310/4885
US-20170081356-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 HSD17B11, HSD17B1, HSD17B3 LMNA 3881/4885HSD17B1 2/4885MAPT 2976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.