SCHEMBL2165891

SCHEMBL2165891

CC(C)(C)C1[C@@H](NS(C)(=O)=O)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.36
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 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
SCHEMBL29107947 0.85 HCRTR2 (0.36) HCRTR2
SCHEMBL3692484 0.78 EPHX2 (0.33)
SCHEMBL17075777 0.76 MAPT (0.47)
SCHEMBL6615474 0.75 EPHX2 (0.31)
SCHEMBL4916237 0.75 LMNA (0.34)
SCHEMBL4112005 0.75 CYP2C19 (0.32) DPP4
SCHEMBL4916247 0.75 LMNA (0.34)
SCHEMBL344780 0.72 HSD17B10 (0.30)
SCHEMBL18393475 0.72 HSD17B10 (0.30)
SCHEMBL1786234 0.72 HSD17B10 (0.30)

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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 (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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 HCRTR2 3783/4885DPP4 4220/4885PREP 3759/4885

“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.