Sugi Predict

Sugi Predict / Compounds / SCHEMBL715636

SCHEMBL715636

SCHEMBL715636

[O]Cc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ADRA1D P25100 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
SCHEMBL3040407 0.83 TAAR1 (0.61) TAAR1LMNAKMT2AMEN1NPSR1
SCHEMBL8593028 0.78 TAAR1 (0.58) AKR1B1TAAR1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL8482161 0.78 TSHR (0.59) AKR1B1SMN1; SMN2CYP1A2LMNATSHR
SCHEMBL948443 0.77 TAAR1 (0.50) AKR1B1TAAR1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL1805882 0.76 PTGES2 (0.45) AKR1B1TAAR1CYP1A2LMNAKMT2A
SCHEMBL1807969 0.76 AKR1B1 (0.42) AKR1B1TAAR1SMN1; SMN2CYP1A2LMNA
SCHEMBL673238 0.75 TAAR1 (0.70) AKR1B1TAAR1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL3333154 0.75 TAAR1 (0.55) AKR1B1TAAR1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL28787924 0.74 PNMT (0.54) AKR1B1TAAR1SMN1; SMN2CYP1A2LMNA
SCHEMBL9026141 0.74 TAAR1 (0.54) AKR1B1TAAR1SMN1; SMN2CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 — — US claimed
EP-3160977-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS The University of Kansas (US) 2017-05-03 — — EP claimed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 — — EP claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 — — US claimed
WO-2015200514-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS THE UNIVERSITY OF KANSAS (US) 2015-12-30 — — WO claimed
CN-104136416-A Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO PHARM SOLUTIONS CO LTD 2014-11-05 — — CN claimed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 — — US claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 — — US claimed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 — — US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 — — US claimed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US claimed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 — — US claimed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 — — WO claimed
EP-1513843-B1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS BAYER CROPSCIENCE AG (DE) 2007-07-04 — — EP claimed
US-7186831-B2 5-halo-2-alkyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amines BAYER CROPSCIENCE LP (DE) 2007-03-06 — — US claimed
EP-1392693-B1 TRIAZOLOPYRIMIDINES FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-02-07 — — EP claimed
CN-1176941-C Caspase inhibitors and the use thereof ά 2004-11-24 — — CN claimed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 — — US claimed
CN-1349496-A Caspase inhibitors and uses thereof CYTOVIA INC (US) 2002-05-15 — — CN claimed
EP-0485458-B1 THIOACYLATING REAGENTS AND INTERMEDIATES, THIOPEPTIDES, AND METHODS FOR PREPARING AND USING SAME IAF BIOCHEM INT (CA) 1997-10-22 — — EP claimed

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

For each of this compound's patents that has machine-readable text (6 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AKR1B1 1120/4885TAAR1 171/4885SMN1; SMN2 2014/4885
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 AKR1B1 50/4885TAAR1 3770/4885SMN1; SMN2 2537/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AKR1B1 1120/4885TAAR1 171/4885SMN1; SMN2 2014/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AKR1B1 1120/4885TAAR1 171/4885SMN1; SMN2 2014/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A AKR1B1 679/4885TAAR1 2312/4885SMN1; SMN2 3764/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AKR1B1 1120/4885TAAR1 171/4885SMN1; SMN2 2014/4885

“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.