SCHEMBL2697754

SCHEMBL2697754

CCCCCOc1ccc(Nc2nc(C)c(C(N)=O)s2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.53
S1PR1 P21453 5/20 0.53
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42

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
SCHEMBL205541 0.83 S1PR1 (0.51) DHODHS1PR1THRATHRBS1PR4
SCHEMBL206224 0.82 S1PR1 (0.54) S1PR1KDM4EMAPTTHRATHRB
SCHEMBL4210034 0.81 S1PR1 (0.48) DHODHS1PR1THRATHRBS1PR4
SCHEMBL10190510 0.80 S1PR1 (0.53) DHODHS1PR1ALDH1A1MAPTTHRA
SCHEMBL3129516 0.79 S1PR1 (0.48) S1PR1ALDH1A1LMNAMAPTTHRA
SCHEMBL207599 0.79 S1PR1 (0.56) DHODHS1PR1KDM4EALDH1A1THRA
SCHEMBL207683 0.79 S1PR1 (0.49) S1PR1ALDH1A1LMNAMAPTTHRA
SCHEMBL208472 0.78 S1PR1 (0.52) DHODHS1PR1KDM4EMAPTTHRA
SCHEMBL2697750 0.78 S1PR1 (0.52) S1PR1KDM4EMAPTTHRATHRB
SCHEMBL206582 0.78 S1PR1 (0.54) S1PR1KDM4EALDH1A1MAPTTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 DHODH 1219/4885S1PR1 1259/4885KDM4E 2649/4885

“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.