SCHEMBL4217833

SCHEMBL4217833

Cc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)O)[C@H]2c2ccccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FKBP1A P62942 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.42
ADAM17 P78536 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4217831 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL6311533 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL6310797 0.84 NPSR1 (0.49) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL6310795 0.84 NPSR1 (0.49) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL1036338 0.78 NPSR1 (0.43) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL1036337 0.78 NPSR1 (0.43) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL5770247 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL5770264 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL5770254 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPSR1FKBP1A
SCHEMBL6177061 0.73 NPSR1 (0.63) ALDH1A1MEN1KMT2ANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 236/4885MEN1 895/4885KMT2A 3248/4885

“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.