SCHEMBL3240900

SCHEMBL3240900

COC(=O)[C@H]1CC2(C[C@H]1C(=O)O)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.40
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
GRM4 Q14833 4/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL31082046 1.00 MMP2 (0.40) MMP2PPM1BPTPN1PPP1CCGRM4
SCHEMBL26136436 0.93 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL31081963 0.93 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL3240889 0.93 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL18010285 0.87 MMP2 (0.37) MMP2PPM1BPTPN1PPP1CCCYP2C19
SCHEMBL16617927 0.87 MMP2 (0.37) MMP2PPM1BPTPN1PPP1CCCYP2C19
SCHEMBL26136489 0.84 GRM4 (0.44) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL14618066 0.84 GRM4 (0.44) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL19318903 0.81 PPM1B (0.41) PPM1BPTPN1PPP1CCCYP2C19ALDH1A1
SCHEMBL16618179 0.81 MMP2 (0.36) MMP2PPM1BPTPN1PPP1CCCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 WO 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 MMP2 4054/4885PPM1B 2740/4885PTPN1 2962/4885

“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.