Sugi Predict

Sugi Predict / Compounds / SCHEMBL3576321

SCHEMBL3576321

SCHEMBL3576321

CC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 2/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PDE8B O95263 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL1467517 1.00 HSD17B10 (0.49) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL6899788 1.00 HSD17B10 (0.49) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL12528533 0.95 PDE8B (0.47) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL25936315 0.95 PDE8B (0.47) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL378749 0.95 PDE8B (0.47) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL24121385 0.90 ATM (0.42) HSD17B10ALDH1A1SMN1; SMN2ATMHPGD
SCHEMBL19158003 0.90 ATM (0.42) HSD17B10ALDH1A1SMN1; SMN2ATMHPGD
Formic Acid SCHEMBL30817776 0.90 PDE8B (0.44) HSD17B10ALDH1A1ATMMEN1KMT2A
SCHEMBL8646149 0.88 HSD17B10 (0.45) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL13381365 0.87 ATM (0.58) HSD17B10ALDH1A1SMN1; SMN2ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
CN-110845490-B 2-acylaminothiazole derivative or salt thereof 旭飞药业股份有限公司 2023-03-28 — — CN disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 — — US disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 — — US disclosed
WO-2020262648-A1 ACRYLIC ESTER DERIVATIVE, AND APPLICATION AND PRODUCTION INTERMEDIATE THEREOF 住友化学株式会社 2020-12-30 — — WO disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS, LLC 2018-06-14 — — US disclosed
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS, LLC 2018-06-14 — — US disclosed
US-9951060-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2018-04-24 — — US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 — — US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 — — US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 — — US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 — — US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 — — US disclosed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 — — EP disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 — — WO disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 — — CN 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 (5 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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A HSD17B10 636/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A HSD17B10 636/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20180162854-A1 Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTC4S, LTB4R HSD17B10 279/4885ALDH1A1 490/4885SMN1; SMN2 4594/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A HSD17B10 636/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HSD17B10 3889/4885ALDH1A1 3370/4885SMN1; SMN2 4385/4885

“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.