SCHEMBL3656332

SCHEMBL3656332

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL3656330 1.00 MITF (0.31) MITFALDH1A1LMNAMAPTHTT
SCHEMBL3656334 1.00 MITF (0.31) MITFALDH1A1LMNAMAPTHTT
SCHEMBL3770808 0.79
SCHEMBL13638260 0.78 ALDH1A1 (0.35) MITFALDH1A1LMNAMAPTHTT
SCHEMBL3660804 0.78 ALDH1A1 (0.35) MITFALDH1A1LMNAMAPTHTT
SCHEMBL13010742 0.78 CACNA1G (0.32)
SCHEMBL12165947 0.73 RIPK1 (0.33) KMT2A
SCHEMBL1904136 0.73 HTT (0.35) MITFALDH1A1LMNAMAPTHTT
SCHEMBL3210998 0.70 KMT2A (0.35) ALDH1A1KMT2A
SCHEMBL3211002 0.70 KMT2A (0.35) ALDH1A1KMT2A

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 7 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
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
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 MITF 3813/4885ALDH1A1 103/4885LMNA 2702/4885

“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.