SCHEMBL13524648

SCHEMBL13524648

CC(C)c1cccc(-c2ccc(C(N)=O)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.58
▸ IKBKB O14920 1/20 0.53
▸ HPGDS O60760 8/20 0.50
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ HSD17B1 P14061 3/20 0.44
▸ HSD17B2 P37059 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43

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
SCHEMBL2879668 0.87 HPGDS (0.63) HPGDSRXRARXRBRXRGRAB9A
SCHEMBL13524643 0.83 HPGDS (0.48) HPGDSRXRARXRBRXRGHSD17B1
SCHEMBL2690201 0.79 IKBKB (0.68) EPHX2IKBKBHPGDSRAB9AHDAC6
SCHEMBL6612574 0.78 HPGDS (0.60) EPHX2IKBKBHPGDSHSD17B1HSD17B2
SCHEMBL1784584 0.78 HPGDS (0.73) EPHX2IKBKBHPGDSHSD17B1HSD17B2
SCHEMBL10052116 0.77 IKBKB (0.68) IKBKBRXRARXRBRXRGRAB9A
SCHEMBL29922717 0.77 EPHX2 (0.58) EPHX2IKBKBHPGDSHSD17B1HSD17B2
SCHEMBL28541614 0.77 EPHX2 (0.58) EPHX2IKBKBHPGDSHSD17B1HSD17B2
SCHEMBL27565420 0.77 ESRRG (0.59) EPHX2IKBKBHPGDSHSD17B1HSD17B2
SCHEMBL27565581 0.77 IKBKB (0.71) EPHX2IKBKBHPGDSHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — 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-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 EPHX2 676/4885IKBKB 101/4885HPGDS 3127/4885

“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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