SCHEMBL4979446

SCHEMBL4979446

Nc1ccc(Sc2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.74
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
ALDH1A1 P00352 3/20 0.68
ALOX15 P16050 1/20 0.68
MAPT P10636 5/20 0.52
MAOA P21397 4/20 0.52
MAOB P27338 3/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PDE7A Q13946 2/20 0.43
ANXA2 P07355 1/20 0.42
S100A10 P60903 1/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
DHFR P00374 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
SCHEMBL9418077 1.00 MAPK1 (0.74) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL10813732 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL3411276 0.86 MAOA (0.64) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL9647870 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL4123832 0.86 MAOA (0.64) MAPK1CYP3A4TSHRALDH1A1ALOX15
4,4'-Thiodianiline SCHEMBL49068 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL9485453 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL9649030 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL9485438 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL9649049 0.86 CYP3A4 (1.00) MAPK1CYP3A4TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328980-A Promoters with halothiophenol compounds and polar organic compounds PHILLIPS PETROLEUM COMPANY (US) 1994-07-12 US claimed
EP-0604778-A2 Method of preparing poly(arylene sulfide)polymers, polymers, and polymer blends PHILLIPS PETROLEUM COMPANY (US) 1994-07-06 EP claimed
JP-6234854-A None JP disclosed
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
CN-101018761-A Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARM INC (US) 2007-08-15 CN disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 US disclosed
JP-H06234854-A PREPARATION OF ARYLENE SULFIDE POLYMER PHILLIPS PETROLEUM CO 1994-08-23 JP disclosed
US-5328980-A Promoters with halothiophenol compounds and polar organic compounds PHILLIPS PETROLEUM COMPANY (US) 1994-07-12 US disclosed
EP-0604778-A2 Method of preparing poly(arylene sulfide)polymers, polymers, and polymer blends PHILLIPS PETROLEUM COMPANY (US) 1994-07-06 EP disclosed
EP-0102476-B1 METHOD OF MODULATING THE IMMUNE RESPONSE SYSTEM IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1986-11-05 EP disclosed
US-4605713-A Process for the production of polyarylene sulphides with functional end groups BAYER AKTIENGESELLSCHAFT (DE) 1986-08-12 US disclosed
US-4605732-A Process for the production of polyarylene sulphides with functional end groups BAYER AKTIENGESELLSCHAFT (DE) 1986-08-12 US disclosed
US-4532349-A 2-Amino-4'(phenylsulfonyl) acetanilides AMERICAN CYANAMID COMPANY (US) 1985-07-30 US disclosed
EP-0102476-A1 Method of modulating the immune response system in mammals AMERICAN CYANAMID COMPANY (US) 1984-03-14 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 (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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAPK1 1028/4885CYP3A4 4654/4885TSHR 642/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAPK1 1028/4885CYP3A4 4654/4885TSHR 642/4885

“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.