SCHEMBL1104964

SCHEMBL1104964

CCBOc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.59
CA12 O43570 11/20 0.59
CA9 Q16790 10/20 0.59
CA1 P00915 10/20 0.59
CA7 P43166 10/20 0.59
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SOS1 Q07889 2/20 0.47
CA4 P22748 3/20 0.46
PTGS2 P35354 1/20 0.46
CA5A P35218 3/20 0.45
CA5B Q9Y2D0 3/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA13 Q8N1Q1 1/20 0.43

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
SCHEMBL1104957 0.81 ALDH1A1 (0.39) CA2CA12CA9CA1CA7
SCHEMBL1104955 0.79 SMN1; SMN2 (0.59) CA2CA12CA9CA1CA7
SCHEMBL1104972 0.79 LMNA (0.59) ALDH1A1HTTSMN1; SMN2
SCHEMBL1695070 0.78 ALDH1A1 (0.64) CA2CA12CA9CA1CA7
SCHEMBL4706398 0.75 CA2 (1.00) CA2CA12CA9CA1CA7
SCHEMBL1104967 0.74 TDP1 (0.52) TSHRALDH1A1SMN1; SMN2
SCHEMBL1104968 0.73 TDP1 (0.37) CA2CA12CA9CA1CA7
SCHEMBL5595956 0.72 CA1 (1.00) CA2CA12CA9CA1CA7
SCHEMBL615392 0.72 CA2 (1.00) CA2CA12CA9CA1CA7
SCHEMBL113508 0.71 PTGS2 (0.78) CA2CA12CA9CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 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 (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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 CA2 302/4885CA12 1165/4885CA9 1021/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 CA2 302/4885CA12 1165/4885CA9 1021/4885

“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.