SCHEMBL2544746

SCHEMBL2544746

COc1ccc(-c2ccc(C(=O)O)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 2/20 0.69
GAA P10253 2/20 0.69
NPC1 O15118 1/20 0.69
GLA P06280 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
LMNA P02545 1/20 0.66
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
APP P05067 3/20 0.63
NR4A2 P43354 1/20 0.60
HSD17B2 P37059 6/20 0.59
IKBKE Q14164 1/20 0.57
TBK1 Q9UHD2 1/20 0.57
HSD17B1 P14061 3/20 0.57
HPGDS O60760 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
SCHEMBL2550687 0.88 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL13078327 0.86 KDM4E (0.69) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL2547972 0.85 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL2247416 0.84 HDAC6 (0.72) MEN1POLBRAB9AKMT2AHSD17B2
SCHEMBL24860541 0.83 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL5903854 0.83 KDM4E (0.80) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL26054639 0.82 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL13044178 0.82 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL3090811 0.81 HDAC6 (0.77) KDM4ESMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6355731 0.81 KDM4E (0.76) KDM4ESMN1; SMN2ALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
CN-103992311-B Hedgehog signal pathway inhibitor 东南大学 2017-01-25 CN disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-6005113-A FLUORESCENT DIBENZOPYRROMETHENEBORON DIFLUORIDE DYES FOR TRACING TRANSPORT WITHIN A SAMPLE MOLECULAR PROBES, INC. (US) 1999-12-21 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 (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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KDM4E 2042/4885SMN1; SMN2 2294/4885ALDH1A1 1529/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 KDM4E 1734/4885SMN1; SMN2 2994/4885ALDH1A1 4033/4885

“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.