SCHEMBL40418

SCHEMBL40418

O=C(O)Cc1cccc(S)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
RGS12 O14924 1/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
GNAI1 P63096 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
Ethylene Glycol SCHEMBL6232155 0.94 AKR1B1 (0.52) AKR1B1CYP1A2CYP2C19LMNAGAA
Ethylene Glycol SCHEMBL6229361 0.94 AKR1B1 (0.52) AKR1B1CYP1A2CYP2C19LMNAGAA
1,3-Propanediol SCHEMBL6335045 0.91 AKR1B1 (0.48) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL5341838 0.89 AKR1B1 (0.47) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL70565 0.84 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19LMNAGAA
Hydrochloric Acid SCHEMBL8922940 0.82 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL8986802 0.82 ALDH1A1 (0.39) AKR1B1CYP1A2CYP2C19POLBALDH1A1
SCHEMBL3360788 0.80 KEAP1 (0.61)
SCHEMBL2353171 0.79 FOLH1 (0.60) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL4402323 0.78 AKR1B1 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US claimed
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
EP-4083029-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2022-11-02 EP disclosed
EP-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed
EP-3130597-B1 OLIGONUCLEOTIDE HAVING A NON-NATURAL NUCLEOTIDE AT THE 5'-TERMINAL KYOWA KIRIN CO LTD (JP) 2021-11-10 EP disclosed
EP-3130597-B1 OLIGONUCLEOTIDE HAVING A NON-NATURAL NUCLEOTIDE AT THE 5'-TERMINAL KYOWA KIRIN CO LTD (JP) 2021-11-10 EP disclosed
US-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-07-09 US disclosed
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
WO-2004072022-A1 COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-08-26 WO disclosed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO disclosed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP 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-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof RNGTT, UPF1, NSUN3 AKR1B1 1687/4885CYP1A2 1890/4885CYP2C19 2865/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL AKR1B1 1046/4885CYP1A2 1655/4885CYP2C19 3627/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL AKR1B1 966/4885CYP1A2 1737/4885CYP2C19 3143/4885

“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.