SCHEMBL5926460

SCHEMBL5926460

COC(=O)CC(NC(=O)c1cc(-c2ccc(F)cc2)ccc1O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.53
▸ DCAF1 Q9Y4B6 5/20 0.49
▸ CTSA P10619 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ ACMSD Q8TDX5 2/20 0.42
▸ DHFR P00374 1/20 0.42
▸ HNF4A P41235 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ USP2 O75604 1/20 0.40

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
SCHEMBL5927319 0.94 TACR3 (0.51) TACR3DCAF1CTSAKDM4EALDH1A1
SCHEMBL5927335 0.94 TACR3 (0.51) TACR3DCAF1CTSAKDM4EALDH1A1
SCHEMBL4831636 0.90 DCAF1 (0.51) TACR3DCAF1CTSAKDM4EALDH1A1
SCHEMBL5926404 0.90 TACR3 (0.49) TACR3DCAF1CTSAKDM4EALDH1A1
SCHEMBL5926314 0.89 MEN1 (0.53) TACR3DCAF1KDM4EALDH1A1LMNA
SCHEMBL5926926 0.89 TACR3 (0.48) TACR3DCAF1CTSAKDM4EALDH1A1
SCHEMBL5926414 0.89 TACR3 (0.50) TACR3CTSAKDM4EALDH1A1LMNA
SCHEMBL6099233 0.89 PIN1 (0.49) TACR3CTSAROCK2ROCK1
SCHEMBL5927597 0.88 MMP12 (0.50) TACR3DCAF1KDM4EALDH1A1LMNA
SCHEMBL5926559 0.88 TACR3 (0.51) TACR3DCAF1CTSAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 TACR3 3996/4885DCAF1 2372/4885CTSA 426/4885

“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.

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