SCHEMBL1522482

SCHEMBL1522482

Cc1ccc(F)c(S(N)(=O)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.42
CA2 P00918 10/20 0.42
CA7 P43166 7/20 0.42
CA12 O43570 6/20 0.42
CA13 Q8N1Q1 4/20 0.42
PTGS1 P23219 7/20 0.39
PTGS2 P35354 7/20 0.39
CA9 Q16790 5/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
CA3 P07451 2/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5348292 0.83 CA1 (0.48) CA1CA2CA7CA12CA13
SCHEMBL1522319 0.79 CA2 (0.40) CA1CA2CA7CA12CA13
SCHEMBL2775322 0.78 PTGS1 (0.42) CA1CA2CA7CA12CA13
SCHEMBL13006836 0.73 ACHE (0.44) CA1CA2CA7CA12CA13
SCHEMBL1522738 0.73 PKM (0.41) CA1CA2CA12PTGS1PTGS2
SCHEMBL21808336 0.72 CA12 (0.48) CA1CA2CA7CA12CA13
SCHEMBL31000067 0.72 CA1 (0.62) CA1CA2CA7CA12CA13
SCHEMBL2776177 0.72 CA1 (0.62) CA1CA2CA7CA12CA13
SCHEMBL29720164 0.71 POLB (0.46) ALDH1A1KDM4EPOLBNPC1CYP3A4
SCHEMBL3670713 0.71 POLB (0.46) ALDH1A1KDM4EPOLBNPC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
CN-100376572-C Anti-infective agents ABBOTT LAB (US) 2008-03-26 CN disclosed
CN-1735612-A Anti-infective agents ABBOTT LAB (US) 2006-02-15 CN disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB CA1 4367/4885CA2 4395/4885CA7 3066/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CA1 4367/4885CA2 4395/4885CA7 3066/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CA1 4607/4885CA2 4484/4885CA7 4070/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CA1 4765/4885CA2 4440/4885CA7 4009/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CA1 4367/4885CA2 4395/4885CA7 3066/4885

“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.