SCHEMBL2172236

SCHEMBL2172236

CC1(C)OC(=O)C(=CNc2cccc(F)c2)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.70
TSHR P16473 1/20 0.70
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
HSD17B10 Q99714 3/20 0.66
MAPK1 P28482 1/20 0.66
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL2210585 0.86 ALDH1A1 (0.71) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL25544341 0.83 ALDH1A1 (0.71) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL5739160 0.83 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL2369281 0.82 ALDH1A1 (0.69) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL19850569 0.82 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3862485 0.81 ALDH1A1 (0.74) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3583405 0.80 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL708062 0.79 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL22233877 0.79 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL2698600 0.79 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10

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-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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 (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-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS ALDH1A1 932/4885TSHR 1590/4885CYP1A2 519/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885TSHR 1179/4885CYP1A2 369/4885

“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.