SCHEMBL17034692

SCHEMBL17034692

CC1=Cc2c(cccc2S(N)(=O)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.39
CA1 P00915 9/20 0.39
CA9 Q16790 7/20 0.39
CA6 P23280 3/20 0.38
CA12 O43570 3/20 0.38
CA5A P35218 3/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CYP2C9 P11712 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.34
PNMT P11086 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL17034701 0.84 L3MBTL1 (0.32) LMNA
SCHEMBL17034693 0.82
SCHEMBL8368488 0.72 CA2 (0.40) CA2ALDH1A1
SCHEMBL30039464 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL830824 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17034694 0.71 CYP3A4 (0.42) KDM4EALDH1A1LMNA
SCHEMBL27666848 0.70 L3MBTL1 (0.33) LMNA
SCHEMBL26606302 0.70 MAOA (0.34) PNMTKDM4EALDH1A1
SCHEMBL30477217 0.70 CYP2A6 (0.36) CA2CA1CA9CA7ALDH1A1
SCHEMBL4035804 0.70 CYP2A6 (0.36) CA2CA1CA9CA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9475824-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2016-10-25 US disclosed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 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 (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-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 CA2 4871/4885CA1 4756/4885CA9 4767/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 CA2 4871/4885CA1 4756/4885CA9 4767/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 CA2 4871/4885CA1 4756/4885CA9 4767/4885

“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.