SCHEMBL3330970

SCHEMBL3330970

CCOC(=O)c1cc(O)c2c(C)c(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN11 Q06124 2/20 0.41
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL3331904 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CA12CA1
SCHEMBL3332175 0.82 HSD17B14 (0.42) ALDH1A1TSHRKDM4ETDP1MAPT
SCHEMBL28425005 0.78 TSHR (0.48) SMN1; SMN2ALDH1A1CYP1A2TSHRCA12
SCHEMBL3328574 0.78 CYP1A2 (0.54) SMN1; SMN2ALDH1A1CYP1A2CA12CA1
SCHEMBL3336240 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP1A2TSHRCA12
SCHEMBL18520729 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP1A2TSHRCA12
SCHEMBL31167428 0.76 CYP1A2 (0.51) SMN1; SMN2ALDH1A1CYP1A2CA12CA1
SCHEMBL27415306 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP1A2TSHRCA12
SCHEMBL1733527 0.72 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CYP1A2KDM4ETDP1
SCHEMBL30002312 0.72 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CYP1A2KDM4ETDP1

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-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 SMN1; SMN2 4406/4885ALDH1A1 2297/4885CYP1A2 1343/4885

“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.