SCHEMBL4472058

SCHEMBL4472058

CCOC(=O)[C@H]1NCC[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC1A2 P43004 1/20 0.34

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
SCHEMBL29109603 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL6882437 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL6882185 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL6882050 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL23555977 0.82 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL24524725 0.82 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL23555976 0.82 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL19973666 0.81 SPHK1 (0.39) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL116264 0.81 SPHK1 (0.39) PPM1BPTPN1PPP1CCMAPTPKM
SCHEMBL8427865 0.81 SPHK1 (0.39) PPM1BPTPN1PPP1CCMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R PPM1B 3262/4885PTPN1 2967/4885PPP1CC 4238/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R PPM1B 3430/4885PTPN1 3155/4885PPP1CC 4681/4885

“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.