SCHEMBL4409592

SCHEMBL4409592

CC1SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
HSD11B1 P28845 4/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TNF P01375 1/20 0.35
PSMB8 P28062 1/20 0.34
SOS1 Q07889 7/20 0.33
KRAS P01116 5/20 0.33
MAPKAPK2 P49137 1/20 0.33
CNR2 P34972 1/20 0.32
ACP3 P15309 1/20 0.32

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
SCHEMBL1606527 0.86 IDH1 (0.42) IDH1HSD11B1MAPTTNFPSMB8
SCHEMBL1606605 0.86 IDH1 (0.42) IDH1HSD11B1MAPTTNFPSMB8
SCHEMBL5464521 0.86 IDH1 (0.42) IDH1HSD11B1MAPTTNFPSMB8
SCHEMBL1605884 0.83 MAPKAPK2 (0.45) IDH1ALDH1A1MAPTMAPKAPK2
SCHEMBL14429409 0.81 HTT (0.39) HSD11B1ALDH1A1MAPTHSD17B10
SCHEMBL10252680 0.81 HTR6 (0.36) HSD11B1ALDH1A1MAPTHSD17B10
SCHEMBL10249360 0.81 HTR6 (0.36) HSD11B1ALDH1A1MAPTHSD17B10
SCHEMBL4395222 0.81 HTR6 (0.36) HSD11B1ALDH1A1MAPTHSD17B10
SCHEMBL14440290 0.79 KMT2A (0.46) ALDH1A1MAPTHSD17B10
SCHEMBL1605153 0.77 TAAR1 (0.47) IDH1ALDH1A1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
EP-1951695-B1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2009-12-23 EP disclosed
US-7541474-B2 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2009-06-02 US disclosed
EP-1951695-A1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2008-08-06 EP disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 WO disclosed
WO-2007061600-A1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN, INC. (US) 2007-05-31 WO disclosed
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 AMGEN, INC. 2007-05-24 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 (2 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-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 IDH1 191/4885HSD11B1 1/4885ALDH1A1 71/4885
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 SRD5A1, HSD11B1, HSD3B1 IDH1 94/4885HSD11B1 2/4885ALDH1A1 116/4885

“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.