SCHEMBL5086025

SCHEMBL5086025

CCCCCCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 15/20 0.64
LPAR2 Q9HBW0 13/20 0.64
LPAR1 Q92633 10/20 0.52
LPAR6 P43657 5/20 0.43
LPAR4 Q99677 5/20 0.43
LPAR5 Q9H1C0 5/20 0.43
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
AGTR1 P30556 1/20 0.41
AKT1 P31749 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL26234272 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL9676047 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL6701668 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL5453677 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL649061 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL7948187 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL1262956 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL4436297 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL11025774 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL2716235 1.00 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR6LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115652313-A Long-chain efficient metal pickling corrosion inhibitor and application thereof 四川文理学院 2023-01-31 CN claimed
US-4148981-A Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-04-10 US claimed
CN-115652313-A Long-chain efficient metal pickling corrosion inhibitor and application thereof 四川文理学院 2023-01-31 CN disclosed
US-7422620-B2 Process for producing copper nanoparticles LANZHOU INSTITUTE OF OF CHEMICAL PHYSICS (CN) 2008-09-09 US disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 US disclosed
US-20060053972-A1 Process for producing copper nanoparticles LANZHOU INSTITUTE OF CHEMICAL PHYSICS (CN) 2006-03-16 US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 US disclosed
WO-2003030898-A1 MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-04-17 WO disclosed
US-6511994-B2 For prophylaxis and therapy of infection by HIV and the treatment of AIDS MERCK & CO., INC. 2003-01-28 US disclosed
US-20020193407-A1 Modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-19 US disclosed
US-5942470-A OIL SOLUBLE SULFUR CONTAINING PRESSURE AND ANTI-WEAR AGENT, AMINE SALT OF PHOSPHORUS ESTER, SUCCINIMIDE, AND ASHLESS DISPERSANTS ETHYL PETROLEUM ADDITIVES, INC. (US) 1999-08-24 US disclosed
EP-0459656-B1 Lubricant compositions ETHYL PETROLEUM ADDITIVES INC (US) 1995-09-20 EP disclosed
EP-0459656-A1 Lubricant compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-12-04 EP disclosed
US-4148981-A Dithiophosphorylated copolymers of aziridineethyl acrylates or methacrylates and alkyl acrylates or methacrylates GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-04-10 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-20020193407-A1 Modulators of CCR5 chemokine receptor activity CCR5, CXCR3, CXCR1 LPAR3 285/4885LPAR2 500/4885LPAR1 201/4885
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 LPAR3 205/4885LPAR2 660/4885LPAR1 397/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 LPAR3 315/4885LPAR2 1414/4885LPAR1 546/4885

“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.