SCHEMBL2148798

SCHEMBL2148798

C=CCS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TSHR P16473 4/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR6 P50406 1/20 0.48
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA9 Q16790 9/20 0.46
CA12 O43570 8/20 0.46
CA14 Q9ULX7 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
USP2 O75604 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL11128883 0.81 GAA (0.57) GAATSHRCYP3A4LMNAMPO
SCHEMBL10524502 0.79 CA2 (0.52) GAALMNACA1CA2CA9
SCHEMBL3626870 0.79 CTSK (0.59) GAACYP3A4CYP2C9CA1CA2
SCHEMBL10592713 0.79 TDP1 (0.55) GAATSHRCYP3A4LMNACYP2C9
SCHEMBL4012964 0.79 KMT2A (0.44) CA1CA2ALDH1A1PNMTMMP2
SCHEMBL9820029 0.79 NPC1 (0.48) CYP3A4CA1CA2CA9CA12
SCHEMBL2548723 0.79 CTSK (0.59) GAACYP3A4CYP2C9CA1CA2
SCHEMBL13183908 0.79 PLCG1 (0.59) TSHRCYP3A4LMNACYP2C9CA1
SCHEMBL9002759 0.79 CA1 (0.52) GAALMNACA1CA2CA9
SCHEMBL10181443 0.79 ALDH1A1 (0.42) GAALMNACA1CA2CA9

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
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-8802686-B2 Sulfone-substituted anilinopyrimidine derivatives as CDK inhibitors, the production thereof, and use as a medicine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 US disclosed
EP-2342185-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-07-13 EP disclosed
WO-2010046034-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed
EP-2179992-A1 Sulfon substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-0134192-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-09-30 EP disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
US-4563520-A COLORFAST BROWN SYEINGS ON LEATHER BASF AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0134192-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-03-13 EP disclosed
US-4491543-A BROWN DYES ON LEATHER BASF AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
EP-0068245-B1 DYESTUFFS CONTAINING SULPHONIC ACID GROUPS BASF Aktiengesellschaft (DE) 1984-10-31 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0083052-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing hydroxyl or nitrogen containing fibrous materials BAYER AG (DE) 1983-07-06 EP disclosed
EP-0078007-A1 Metallised polyazo dyestuffs BASF Aktiengesellschaft (DE) 1983-05-04 EP disclosed
EP-0068245-A1 Dyestuffs containing sulphonic acid groups BASF Aktiengesellschaft (DE) 1983-01-05 EP disclosed
EP-0066714-A2 Reactive dyestuffs BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 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 (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-20110251222-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE CDK6, CDK4, CDK2 GAA 2013/4885TSHR 3730/4885CYP3A4 452/4885

“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.