SCHEMBL1429795

SCHEMBL1429795

CC(C)OOB(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.41
ORAI1 Q96D31 3/20 0.41
ORAI2 Q96SN7 3/20 0.41
ORAI3 Q9BRQ5 3/20 0.41
PCSK9 Q8NBP7 2/20 0.41
CA4 P22748 2/20 0.41
ENPP2 Q13822 2/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MGLL Q99685 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL15577145 0.79 TRPV6 (0.41) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1226528 0.78 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL262207 0.76 ENPP2 (0.46) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28745277 0.75 ORAI1 (0.37) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL19893832 0.75 LMNA (0.40) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28745155 0.75 TRPV6 (0.37) TRPV6ORAI1ORAI2ORAI3PCSK9
Fluoride SCHEMBL28835775 0.74 ENPP2 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL20678528 0.72 LMNA (0.37) CA4CA5ACA5BTSHRLMNA
SCHEMBL18541634 0.72 LMNA (0.38) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL264493 0.71 PCSK9 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473606-B Curable resin composition 日东电工株式会社 2021-01-12 CN disclosed
EP-2566847-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS Icozen Therapeutics Pvt. Ltd. (IN) 2013-03-13 EP disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
WO-2011138665-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-10 WO disclosed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP disclosed
WO-2009004430-A1 N-BENZYL OXAZOLIDINONES AND RELATED HETEROCYCLEIC COMPOUNDS AS POTENTIATORS OF GLUTAMATE RECEPTORS PFIZER INC. (US) 2009-01-08 WO disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
EP-1644375-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005007658-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 WO 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 TRPV6 2225/4885ORAI1 2386/4885ORAI2 2364/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR TRPV6 1797/4885ORAI1 1466/4885ORAI2 2216/4885

“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.