SCHEMBL16240287

SCHEMBL16240287

COC(=O)c1cc2c(C(F)(F)F)cc(-c3cccc(OC(F)(F)F)c3)cc2n1O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.76
▸ DHODH Q02127 8/20 0.46
▸ ABL1 P00519 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ AR P10275 1/20 0.37
▸ TRPC5 Q9UL62 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36

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
SCHEMBL16240015 0.89 LDHA (0.72) LDHADHODHSERPINE1
SCHEMBL16241236 0.88 LDHA (0.77) LDHAABL1SERPINE1
SCHEMBL15070120 0.87 LDHA (1.00) LDHAHDAC6AR
SCHEMBL16240929 0.82 LDHA (0.71) LDHADHODHAR
SCHEMBL16240258 0.81 LDHA (0.72) LDHA
SCHEMBL16240283 0.80 LDHA (0.79) LDHA
SCHEMBL16240538 0.80 LDHA (0.74) LDHAAR
SCHEMBL16240536 0.78 LDHA (0.68) LDHA
SCHEMBL16240438 0.77 LDHA (0.73) LDHADHODHSERPINE1
SCHEMBL15058801 0.75 LDHA (0.77) LDHAHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885DHODH 22/4885ABL1 729/4885

“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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