SCHEMBL10248368

SCHEMBL10248368

Cc1cc([C@H](C)NC2=NC(=O)C(C(C)C)S2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 16/20 0.37
IDH1 O75874 1/20 0.35
CXCR2 P25025 2/20 0.34
KRAS P01116 7/20 0.33
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
RAET1L Q5VY80 1/20 0.31

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
SCHEMBL1605776 0.93 IDH1 (0.39) SOS1IDH1KRAS
SCHEMBL14429434 0.84 IDH1 (0.43) SOS1IDH1KRAS
SCHEMBL5454033 0.83 IDH1 (0.40) IDH1
SCHEMBL1605420 0.83 IDH1 (0.40) IDH1
SCHEMBL14429777 0.77 IDH1 (0.36) IDH1
SCHEMBL10249354 0.77 IDH1 (0.36) IDH1
SCHEMBL10249378 0.77 IDH1 (0.36) IDH1
SCHEMBL10248170 0.77 IDH1 (0.36) IDH1
SCHEMBL14429779 0.77 IDH1 (0.36) IDH1
SCHEMBL1606410 0.74 MAPKAPK2 (0.41) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 SOS1 1421/4885IDH1 188/4885CXCR2 4061/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 SOS1 1421/4885IDH1 188/4885CXCR2 4061/4885

“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.