SCHEMBL3392363

SCHEMBL3392363

COc1ccc2c(c1)S(O)(O)N=C(CC(=O)O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C2 P52895 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRK6 P43250 3/20 0.37
LCK P06239 1/20 0.36

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
SCHEMBL3395055 0.90 AKR1C2 (0.43) KDM4EPOLBKMT2AAKR1C2HSD17B10
SCHEMBL3392351 0.87 MAPT (0.46) KDM4EPOLBCA12CA1CA2
SCHEMBL3391447 0.82 MAOB (0.44) KDM4EKMT2AHSD17B10
SCHEMBL3395051 0.80 ALDH1A1 (0.44) KDM4EPOLBCA12CA1CA2
SCHEMBL1523640 0.77 AKR1C3 (0.48) KDM4EPOLBCA12CA1CA2
SCHEMBL3395053 0.76 ALDH1A1 (0.48) CA12CA1CA2CA4CA7
SCHEMBL5097715 0.73 KMT2A (0.42) KDM4EPOLBCA12CA1CA2
SCHEMBL3391436 0.70 MEN1 (0.49) KDM4EKMT2AHSD17B10
SCHEMBL14095561 0.69 ALDH1A1 (0.46) KDM4EMAPTKMT2ALMNA
SCHEMBL335046 0.68 ALDH1A1 (0.45) KDM4EMAPTKMT2AABCC8KCNJ11

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
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 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
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 (4 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885POLB 3/4885CA12 4101/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885POLB 35/4885CA12 4557/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885POLB 19/4885CA12 4493/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885POLB 3/4885CA12 4101/4885

“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.