SCHEMBL6448130

SCHEMBL6448130

COc1cc(C(F)(F)F)c2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 3/20 0.52
▸ IDO1 P14902 9/20 0.46
▸ TDO2 P48775 8/20 0.46
▸ EIF4A3 P38919 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ GPR17 Q13304 1/20 0.38

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
SCHEMBL8200409 0.83 ALDH1A1 (0.53) RHEBKDM4EHPGD
SCHEMBL23148145 0.81 RHEB (0.49) RHEBIDO1TDO2EIF4A3KDM4E
SCHEMBL23147975 0.79 IDO1 (0.47) RHEBIDO1TDO2EIF4A3KDM4E
SCHEMBL1144683 0.79 IDO1 (0.55) RHEBIDO1TDO2EIF4A3KDM4E
SCHEMBL28461413 0.78 GRIN1 (0.64) RHEBEIF4A3KDM4EHPGDGRIN1
SCHEMBL8198168 0.76 ALDH1A1 (0.46) RHEBKDM4EHPGD
SCHEMBL8214927 0.75 DYRK1A (0.39) KDM4EDYRK1A
SCHEMBL28583335 0.75 ULK1 (0.69) RHEBIDO1TDO2EIF4A3KDM4E
SCHEMBL7038970 0.75 SRD5A2 (0.46) RHEBIDO1TDO2
SCHEMBL30396959 0.74 KDM4E (0.49) RHEBIDO1TDO2EIF4A3KDM4E

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-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 — — US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 — — US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 RHEB 4834/4885IDO1 476/4885TDO2 382/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 RHEB 4834/4885IDO1 476/4885TDO2 382/4885

“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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