SCHEMBL2522787

SCHEMBL2522787

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 8/20 0.46
CA2 P00918 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 6/20 0.46
CA14 Q9ULX7 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA4 P22748 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
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
Hydrochloric Acid SCHEMBL9463319 0.98 GAA (0.59) GAATSHRCYP3A4LMNAMPO
SCHEMBL11017416 0.81 ALDH1A1 (0.50) GAACYP3A4CA1CA2CA9
Hydrochloric Acid SCHEMBL9494522 0.81 GAA (0.41) GAATSHRCYP3A4LMNAMPO
Hydrochloric Acid SCHEMBL9463503 0.80 F2 (0.56) GAATSHRHTR6CA1CA2
SCHEMBL11964589 0.79 ALDH1A1 (0.55) GAACYP3A4LMNACYP2C9CA1
SCHEMBL5745307 0.79 GAA (0.55) GAATSHRCYP3A4LMNAMPO
SCHEMBL10050325 0.79 PLCG1 (0.59) CYP3A4CYP2C9CA1CA2CA9
SCHEMBL1482097 0.78 PSIP1 (0.54) TSHRHTR6CA1CA2CA9
Hydrochloric Acid SCHEMBL9462770 0.76 LMNA (0.53) TSHRLMNAHTR6CA1CA2
SCHEMBL6422563 0.75 PKM (0.53) GAACA1CA2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5231171-A Dyeing or printing substrates such as cellulose BASF AKTIENGESELLSCHAFT (DE) 1993-07-27 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 (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.