SCHEMBL171069

SCHEMBL171069

CCc1ccc(CS)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.60
TP53 P04637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
CYP2A6 P11509 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL17752829 0.92 IDO1 (0.52) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL17752820 0.92 IDO1 (0.52) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL17752815 0.92 IDO1 (0.52) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL127369 0.83 IDO1 (0.69) IDO1ALDH1A1TSHRTDP1
SCHEMBL36295 0.83 TP53 (0.67) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL17752822 0.82 TP53 (0.47) IDO1TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL31498555 0.79 TP53 (0.62) IDO1TP53TAAR1CYP2A6LPL
Ammonia Solution, Strong SCHEMBL27293386 0.79 TP53 (0.62) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL7542835 0.79 TP53 (0.62) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL28166306 0.79 TP53 (0.62) IDO1TP53TAAR1CYP2A6LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162556-A Used for forming a thin metal gold layer or film on a substrate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US claimed
US-20240018302-A1 BIORESORBABLE, STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-01-18 US disclosed
US-20230383056-A1 BIORESORBABLE,STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-11-30 US disclosed
US-11685809-B2 Phosphorus-containing polymers, and methods of producing thereof NOVOMER, INC. (US) 2023-06-27 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
US-9975971-B2 Preparation of polyisobutylene-based polymer networks by thiol-ene chemistry THE UNIVERSITY OF AKRON (US) 2018-05-22 US disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
US-20160002373-A1 PREPARATION OF POLYISOBUTYLENE-BASED POLYMER NETWORKS BY THIOL-ENE CHEMISTRY THE UNIVERSITY OF AKRON (US) 2016-01-07 US disclosed
CN-1314420-A Olefine polymerization catalyst and method for preparing olefine polymer SUMITOMO CHEMICAL CO (JP) 2001-09-26 CN disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
CN-1286271-A Olefine polymerization catalyst and method for production of olefine polymer using it SUMITOMO CHEMICAL CO (JP) 2001-03-07 CN disclosed
CN-1030768-C Primidine derivatives, process for preparing same and inhibitor for androgen OTSUKA PHARMA CO LTD (JP) 1996-01-24 CN disclosed
US-5162556-A Used for forming a thin metal gold layer or film on a substrate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
CN-1060844-A Pyrimidine derivatives, its method for making and inhibitor for androgen OTSUKA PHARMA CO LTD (JP) 1992-05-06 CN disclosed
EP-0314042-A2 Novel copolymers and superoxide dismutase modified with said copolymers KURARAY CO., LTD. (JP) 1989-05-03 EP disclosed
EP-0044711-B1 9,11-METHANO-13-AZA-11A-CARBATHROMBANOIC ACID ANALOGUES AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 1984-03-14 EP disclosed
US-4055574-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1977-10-25 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 IDO1 2869/4885TP53 4124/4885TAAR1 405/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 IDO1 2869/4885TP53 4124/4885TAAR1 405/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 IDO1 3238/4885TP53 4792/4885TAAR1 1033/4885

“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.