SCHEMBL3545442

SCHEMBL3545442

COc1ccc(-c2nocc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 1/20 0.52
PTPN1 P18031 5/20 0.51
PTPRC P08575 1/20 0.51
PTPRF P10586 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
CDC25C P30307 1/20 0.51
PPP1CC P36873 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PDE3A Q14432 1/20 0.48
NR4A2 P43354 1/20 0.48

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
SCHEMBL28164188 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDPOLBPTPN1
SCHEMBL15776569 0.88 RAB9A (0.56) ALDH1A1POLBPTPN1PTPRCPTPRF
SCHEMBL4025278 0.85 HSD17B10 (0.51) ALDH1A1KDM4EHPGDPOLBPTPN1
SCHEMBL402939 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL4024790 0.80 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1PTGS2KMT2A
SCHEMBL28854025 0.80 XDH (0.47) ALDH1A1HPGDPOLBSMN1; SMN2MAPT
SCHEMBL1225673 0.80 PTGS2 (0.44) ALDH1A1KDM4EHPGDPOLBPTPN1
SCHEMBL4022249 0.79 TPMT (0.39) KDM4EPOLBPTPN1PTPRCPTPRF
SCHEMBL2929499 0.79 CDH1 (0.46) ALDH1A1KDM4EPTPN1SMN1; SMN2L3MBTL1
SCHEMBL1776666 0.79 MAPK13 (0.49) KDM4EPTGS2KMT2AMEN1LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103539753-B A kind of synthetic method of the isoxazole carboxylic acid of 3 substitution 4 上海药明康德新药开发有限公司 2017-06-23 CN disclosed
EP-2668183-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
EP-2668182-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
WO-2012101261-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMH (DE) 2012-08-02 WO disclosed
WO-2012101263-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2012-08-02 WO disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (1 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ALDH1A1 86/4885KDM4E 702/4885HPGD 165/4885

“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.