SCHEMBL10267173

SCHEMBL10267173

CC(=O)Nc1ccc(F)c2c(C(=O)C(=O)O)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ AR P10275 1/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ PARP14 Q460N5 1/20 0.33

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
SCHEMBL571515 0.83 JAK3 (0.39) CYP2C19POLBALDH1A1CA1CA2
SCHEMBL10267180 0.78 CYP2C9 (0.52) CYP2C19POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL10266797 0.77 HDAC1 (0.38) CYP2C19POLBALDH1A1CA1CA2
SCHEMBL12513768 0.76 TNF (0.35) HSD17B10TNF
SCHEMBL12215154 0.76 TNF (0.35) HSD17B10RAB9ATNF
SCHEMBL12513704 0.75 TNF (0.33) TNF
SCHEMBL11963570 0.73 CYP2C9 (0.38) CYP2C19POLBALDH1A1KDM4ELMNA
SCHEMBL13325347 0.73 ERN1 (0.37) TNF
SCHEMBL13325432 0.71 ADRA2A (0.44) ALDH1A1KDM4EHSD17B10SMN1; SMN2TNF
SCHEMBL26844421 0.69 ALDH1A1 (0.44) POLBALDH1A1KDM4EHSD17B10NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 — — US disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 — — US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — 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-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES IDO1, IDO2, INMT CYP2C19 171/4885POLB 1047/4885ALDH1A1 952/4885

“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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