SCHEMBL2662863

SCHEMBL2662863

Cc1cc(O)c(O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CD44 P16070 1/20 0.48
HSD17B10 Q99714 5/20 0.48
TSHR P16473 4/20 0.48
HPGD P15428 3/20 0.48
CYP3A4 P08684 5/20 0.43
ALOX15 P16050 3/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
G6PD P11413 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4062679 0.86 LMNA (0.58) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4853924 0.86 HSD17B10 (0.60) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL8459523 0.86 TSHR (0.60) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6841859 0.86 LMNA (0.52) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6853371 0.80 HSD17B10 (0.60) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4976763 0.79 LMNA (0.52) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL18617511 0.79 LMNA (0.52) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL2421456 0.79 CD44 (0.65) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL14049224 0.79 LMNA (0.47) LMNAALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4544583 0.79 CD44 (0.65) LMNAALDH1A1GAAKDM4ESMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 WO disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 US disclosed
EP-2703406-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed
US-4596880-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4310540-A PYRETHROID-LIKE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 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 (3 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-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 LMNA 4194/4885ALDH1A1 908/4885GAA 92/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL LMNA 2931/4885ALDH1A1 1437/4885GAA 31/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 LMNA 3555/4885ALDH1A1 3320/4885GAA 815/4885

“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.