SCHEMBL3396574

SCHEMBL3396574

O=C(O)CSc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.74
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.55
GFER P55789 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53

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
SCHEMBL10857234 0.84 STAT3 (0.61) STAT3HSD17B10GFERPOLBMAPT
SCHEMBL10852199 0.81 STAT3 (0.58) STAT3HSD17B10GFERPOLBALDH1A1
SCHEMBL9999239 0.81 STAT3 (0.67) STAT3CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL28061038 0.79 STAT3 (0.63) STAT3CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL7244448 0.79 STAT3 (0.48) STAT3CYP1A2HSD17B10ALDH1A1MAPT
SCHEMBL4636862 0.78 KDM4E (0.53) STAT3CYP3A4HSD17B10ALDH1A1MAPT
SCHEMBL936498 0.78 ALDH1A1 (0.50) STAT3CYP1A2POLBALDH1A1MAPT
SCHEMBL24273653 0.78 CYP1A2 (0.79) STAT3CYP1A2CYP3A4CYP2C19POLB
SCHEMBL2588242 0.76 TUBB4A (0.56) STAT3HSD17B10GFERPOLBMAPT
SCHEMBL8115720 0.76 STAT3 (0.59) STAT3CYP1A2CYP3A4CYP2C19HSD17B10

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-107987006-B Indole or azaindole derivatives, preparation method and application thereof 华润赛科药业有限责任公司 2021-06-01 CN disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
EP-2800748-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF Connexios Life Sciences Pvt. Ltd. (IN) 2014-11-12 EP disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 WO disclosed
EP-0340010-B1 Heterocyclic nitromethane derivatives ICI PLC (GB) 1994-08-24 EP disclosed
US-5102905-A For treating side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-07 US disclosed
EP-0340010-A2 Heterocyclic nitromethane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 EP disclosed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0105397-B1 SULPHURIC INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1986-07-16 EP disclosed
EP-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP disclosed
US-4378314-A FOR PENICILLINS AND CEPHALOSPORINS BRISTOL MYERS COMPANY (US) 1983-03-29 US disclosed
US-4272437-A PENICILLINS BRISTOL-MYERS COMPANY (US) 1981-06-09 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 (2 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L STAT3 1676/4885CYP1A2 335/4885CYP3A4 453/4885
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF HSD11B1, HSD11B2, HSD17B1 STAT3 4106/4885CYP1A2 300/4885CYP3A4 669/4885

“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.