SCHEMBL12144652

SCHEMBL12144652

CC(=O)Nc1cc(Cl)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.49
KDR P35968 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX1 P07099 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
RORC P51449 3/20 0.44
ACP1 P24666 1/20 0.44
PDK1 Q15118 1/20 0.42
MAP2K1 Q02750 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7139219 0.83 LMNA (0.52) ALDH1A1GAATDP1RORCLMNA
SCHEMBL12144645 0.83 ALDH1A1 (0.47) TMPRSS4ALDH1A1GAATDP1EPHX1
SCHEMBL15544520 0.79 MEN1 (0.48) ALDH1A1GAARORCLMNAMEN1
SCHEMBL24032647 0.78 RORC (0.44) TMPRSS4KDRALDH1A1GAATDP1
SCHEMBL12144653 0.78 KDR (0.43) KDRALDH1A1GAATDP1TRPV1
SCHEMBL462753 0.78 KDR (0.76) TMPRSS4KDRALDH1A1GAATRPV1
SCHEMBL28875490 0.78 KDR (0.57) KDRALDH1A1EPHX1TRPV1RORC
SCHEMBL28657724 0.76 NPFFR2 (0.41) TMPRSS4KDRALDH1A1GAAEPHX1
SCHEMBL30977691 0.74 EPHX1 (0.74) TMPRSS4KDRGAAEPHX1MAP2K1
SCHEMBL1431941 0.74 EPHX1 (0.74) TMPRSS4KDRGAAEPHX1MAP2K1

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-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA TMPRSS4 1408/4885KDR 1478/4885ALDH1A1 967/4885

“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.