SCHEMBL2578736

SCHEMBL2578736

COC(=O)c1sc2cc(Cl)ccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.53
▸ MCL1 Q07820 2/20 0.53
▸ BCKDK O14874 1/20 0.53
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MAPK1 P28482 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ NR4A2 P43354 2/20 0.44

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
SCHEMBL10481468 0.88 LMNA (0.48) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL3200456 0.86 RXFP1 (0.44) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL15619136 0.85 MCL1 (0.53) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL25212927 0.84 RXFP1 (0.51) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL8142110 0.84 KDM4E (0.64) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL31015960 0.84 RXFP1 (0.51) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL25257143 0.84 RXFP1 (0.51) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL31015931 0.84 KDM4E (0.64) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL31015986 0.84 RXFP1 (0.51) RXFP1MCL1BCKDKNPC1RAB9A
SCHEMBL13926048 0.83 BCL2L1 (0.51) MCL1NPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 — — US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 — — US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 — — US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 — — US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — WO disclosed
US-20040209932-A1 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups; processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-21 — — 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 (4 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-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 RXFP1 2358/4885MCL1 2050/4885BCKDK 57/4885
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM RXFP1 3889/4885MCL1 1825/4885BCKDK 2152/4885
US-20040209932-A1 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups; processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A RXFP1 2318/4885MCL1 1964/4885BCKDK 47/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM RXFP1 3889/4885MCL1 1825/4885BCKDK 2152/4885

“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.

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