Sugi Predict

Sugi Predict / Compounds / SCHEMBL3207866

SCHEMBL3207866

SCHEMBL3207866

CNC(=O)[C@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL3207877 1.00 POLB (0.35) POLBHTTCHRNB2CHRNA4GLA
SCHEMBL3195926 0.85 LMNA (0.38) POLBHTTGLASMN1; SMN2ALDH1A1
SCHEMBL23549818 0.85 POLB (0.34) POLBHTTGLASMN1; SMN2HSD17B10
SCHEMBL23549817 0.85 POLB (0.34) POLBHTTGLASMN1; SMN2HSD17B10
SCHEMBL3195912 0.85 LMNA (0.38) POLBHTTGLASMN1; SMN2ALDH1A1
SCHEMBL3205445 0.83 POLB (0.43) POLBHTTALDH1A1
SCHEMBL3205433 0.83 POLB (0.43) POLBHTTALDH1A1
SCHEMBL527479 0.83 DPP4 (0.30) —
SCHEMBL17890000 0.82 SMN1; SMN2 (0.45) POLBCHRNB2CHRNA4CHRNA7SMN1; SMN2
SCHEMBL17889999 0.82 SMN1; SMN2 (0.45) POLBCHRNB2CHRNA4CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 — — US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — US disclosed
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 — — US disclosed
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 — — US disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 — — 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 (3 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-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 POLB 4100/4885HTT 4367/4885CHRNB2 3344/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 POLB 2713/4885HTT 900/4885CHRNB2 194/4885
US-20150191464-A1 HETEROARYL SUBSTITUTED NICOTINAMIDE COMPOUNDS IRAK4, IRAK3, IRAK2 POLB 2061/4885HTT 2186/4885CHRNB2 1687/4885

“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.