SCHEMBL238364

SCHEMBL238364

[S]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5409178 0.86 TSHR (0.50) KCNN4TSHRALDH1A1CYP1A2TAAR1
SCHEMBL735085 0.78 CA4 (0.54) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL3879465 0.78 CA4 (0.54) ALDH1A1MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL10663447 0.76 MAPK1 (0.46) KCNN4TSHRALDH1A1MAPK1CYP1A2
SCHEMBL5409173 0.74 CYP3A4 (0.39) KCNN4TSHRALDH1A1CYP1A2TAAR1
SCHEMBL5199180 0.73 TSHR (0.58) KCNN4TSHRALDH1A1MAPK1CYP1A2
SCHEMBL10657920 0.73 CYP1A2 (0.44) KCNN4TSHRALDH1A1MAPK1CYP1A2
SCHEMBL5609995 0.73 TSHR (0.58) KCNN4TSHRALDH1A1MAPK1CYP1A2
SCHEMBL618648 0.73 MAPK1 (0.50) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL230628 0.69 KCNN4 (0.53) KCNN4TSHRALDH1A1MAPK1CYP1A2

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 1111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127026-A1 MEMBRANE FILTRATION-ASSISTED SOLUTION PHASE OLIGONUCLEOTIDE SYNTHESIS Exactmer Limited (GB) 2024-06-20 WO claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6124445-A PRO DRUGS FOR OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-26 US claimed
US-5998603-A TETRAHYDROFURANYL COMPOUNDS ARE PROVIDED THAT ARE FUNCTIONALIZED TO INCLUDE PENDANT CONJUGATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-12-07 US claimed
US-5955591-A OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS; USED AS PRODRUGS; ANTISENSE AGENTS CENTER NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-09-21 US claimed
EP-0912592-A1 PHOSPHOTRIESTER OLIGONUCLEOTIDES, AMIDITES AND METHOD OF PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-05-06 EP claimed
WO-1997047637-A1 PHOSPHOTRIESTER OLIGONUCLEOTIDES, AMIDITES AND METHOD OF PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (US) 1997-12-18 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
EP-0490450-A1 Heterocyclic carboxylic esters, methods for their preparation and their use for the preparation of gastrointestinal medicines YAMANOUCHI EUROPE B.V. (NL) 1992-06-17 EP claimed
EP-0062876-B1 2-OXO-1-(((SUBSTITUTED SULFONYL)AMINO)CARBONYL)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1986-09-24 EP claimed
US-4587047-A 2-oxo-1-[[(substituted sulfonyl)amino]-carbonyl]azetidines E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US claimed
EP-0061765-B1 BETA-LACTAMS E.R. SQUIBB & SONS, INC. (US) 1985-08-28 EP claimed
US-4478749-A AMINO ACID DERTIVATIVES ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1984-10-23 US claimed
EP-0062876-A1 2-Oxo-1-(((substituted sulfonyl)amino)carbonyl)azetidines E.R. Squibb & Sons, Inc. (US) 1982-10-20 EP claimed
EP-0061765-A1 Beta-Lactams E.R. SQUIBB & SONS, INC. (US) 1982-10-06 EP claimed
US-4346187-A AND ORGANIC BROMINE COMPOUND BORG-WARNER CHEMICALS, INC. (US) 1982-08-24 US claimed
US-4257947-A INTERMEDIATES FOR ANTIBACTERIAL CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1981-03-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 KCNN4 4116/4885TSHR 3540/4885ALDH1A1 4580/4885

“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.