SCHEMBL1522466

SCHEMBL1522466

Nc1ccc(C2CCCCC2)cc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.48
ACMSD Q8TDX5 2/20 0.44
HDAC2 Q92769 5/20 0.43
HDAC1 Q13547 5/20 0.43
BACE1 P56817 1/20 0.43
PTGS2 P35354 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HDAC4 P56524 1/20 0.39

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
SCHEMBL7952462 0.87 PTGS2 (0.51) PTGES2ACMSDHDAC2HDAC1BACE1
SCHEMBL5625544 0.85 ACMSD (0.41) PTGES2ACMSDHDAC2HDAC1BACE1
SCHEMBL20093001 0.80 TYK2 (0.38) ACMSDHDAC2HDAC1BACE1HDAC3
SCHEMBL27400033 0.80 PTGES2 (0.45) PTGES2ACMSDHDAC2BACE1PTGS2
SCHEMBL3985023 0.76 BACE1 (0.51) ACMSDHDAC2HDAC1BACE1LMNA
SCHEMBL20092262 0.76 HDAC1 (0.39) HDAC2HDAC1HDAC3
SCHEMBL14454641 0.76 HDAC1 (0.42) HDAC2HDAC1CYP2C9HDAC3
SCHEMBL3905771 0.75 BACE1 (0.47) ACMSDHDAC2HDAC1BACE1LMNA
SCHEMBL11678603 0.75 CA1 (0.46) PTGES2PTGS2CA12CA1CA2
SCHEMBL9297221 0.75 ACMSD (0.57) PTGES2ACMSDHDAC2LMNAHTT

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 PTGES2 2096/4885ACMSD 1747/4885HDAC2 2886/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB PTGES2 2096/4885ACMSD 1747/4885HDAC2 2886/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 PTGES2 1260/4885ACMSD 3822/4885HDAC2 2694/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT PTGES2 791/4885ACMSD 3707/4885HDAC2 2977/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB PTGES2 2096/4885ACMSD 1747/4885HDAC2 2886/4885

“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.