SCHEMBL3333993

SCHEMBL3333993

CCOC(=O)N1CCN(C(=O)[C@H](CC(F)F)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53
GAA P10253 1/20 0.52
CTSK P43235 9/20 0.52
CTSL P07711 6/20 0.52
CTSS P25774 4/20 0.52
CTSB P07858 2/20 0.52
P2RX7 Q99572 6/20 0.51
TGM2 P21980 1/20 0.51

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
SCHEMBL3334002 1.00 TSHR (0.53) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3331640 0.91 P2RY12 (0.51) CTSKCTSLCTSSCTSBP2RX7
SCHEMBL3331645 0.91 P2RY12 (0.51) CTSKCTSLCTSSCTSBP2RX7
SCHEMBL953167 0.89 TSHR (0.51) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL953169 0.89 TSHR (0.51) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL953165 0.89 TSHR (0.51) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2583553 0.87 P2RY12 (0.58) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2583559 0.87 P2RY12 (0.58) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL954457 0.86 TGM2 (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL954454 0.86 TGM2 (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9

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 TSHR 916/4885ALDH1A1 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.