SCHEMBL149146

SCHEMBL149146

CC(C)(C)N(CCCNS(C)(=O)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.33
PTGES O14684 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM4D Q6B0I6 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
SCHEMBL5618639 0.95 POLB (0.37) POLBALDH1A1PTGES
SCHEMBL930036 0.89 KDM4D (0.34) POLBALDH1A1PTGESKMT2AKDM4D
SCHEMBL17093613 0.78 KDM4A (0.39) ALDH1A1KMT2A
SCHEMBL2520169 0.77
SCHEMBL790160 0.75 MEN1 (0.33) KMT2A
SCHEMBL17093961 0.75 TMEM97 (0.32) ALDH1A1KMT2A
SCHEMBL360638 0.74 GPR84 (0.34) KMT2A
SCHEMBL18992802 0.73 KDM4A (0.41) ALDH1A1KMT2A
SCHEMBL11060568 0.72 FFAR1 (0.38) ALDH1A1KMT2A
SCHEMBL15263236 0.72 FFAR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase INCYTE CORPORATION, A DELAWARE CORPORATION 2012-03-08 US disclosed
US-8088803-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2012-01-03 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-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT POLB 2730/4885ALDH1A1 157/4885PTGES 1397/4885

“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.