SCHEMBL3659282

SCHEMBL3659282

C[C@@H](c1ccc(Br)cc1)N(CCC(=N[S+]([O-])C(C)(C)C)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TRPM8 Q7Z2W7 5/20 0.32
ALOX5 P09917 1/20 0.32
TXNRD1 Q16881 1/20 0.31
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
CACNA1B Q00975 2/20 0.31
DRD1 P21728 1/20 0.31
PTGER2 P43116 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD11B1 P28845 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3655847 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTRPM8ALOX5
SCHEMBL3655844 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTRPM8ALOX5
SCHEMBL3765652 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTRPM8ALOX5
SCHEMBL3765658 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTRPM8ALOX5
SCHEMBL3655841 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTRPM8ALOX5
SCHEMBL13010743 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTALOX5TXNRD1
SCHEMBL3207986 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTALOX5DRD1
SCHEMBL3207998 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTALOX5DRD1
SCHEMBL3207967 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTALOX5DRD1
SCHEMBL3208531 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTALOX5DRD1

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-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 (1 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 ALDH1A1 103/4885KDM4E 4083/4885MAPT 2596/4885

“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.