SCHEMBL3303033

SCHEMBL3303033

O=C(N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.56
ITGA2B P08514 6/20 0.56
TACR1 P25103 2/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
TYR P14679 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
GPR34 Q9UPC5 1/20 0.53
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
CTRB1 P17538 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
SCHEMBL25182267 0.92 ITGB3 (0.51) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7480565 0.91 GPR34 (0.56) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL29972959 0.91 GPR34 (0.56) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL13391981 0.90 ALDH1A1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5929949 0.90 ALDH1A1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8258487 0.88 GPR34 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL2511842 0.88 GPR34 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7291131 0.88 GPR34 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL10722503 0.88 GPR34 (0.63) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL219151 0.87 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB

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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 US claimed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 US claimed
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2005-06-16 US claimed
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2003-01-02 US claimed
WO-2025238360-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2025-11-20 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 (3 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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides VKORC1, EPOR, POR ITGB3 1947/4885ITGA2B 1364/4885TACR1 2238/4885
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, POR ITGB3 1893/4885ITGA2B 1203/4885TACR1 2390/4885
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, VKORC1L1 ITGB3 1768/4885ITGA2B 1226/4885TACR1 2282/4885

“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.