SCHEMBL2697750

SCHEMBL2697750

CCCCCOc1ccc(Nc2ncc(C(=O)NC)s2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.52
S1PR4 O95977 2/20 0.45
S1PR5 Q9H228 2/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTK2 Q05397 2/20 0.41
ULK1 O75385 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCD O00767 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
SCHEMBL207599 0.90 S1PR1 (0.56) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL208472 0.89 S1PR1 (0.52) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206063 0.88 S1PR1 (0.50) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206586 0.86 S1PR1 (0.48) S1PR1RAB9ANPC1
SCHEMBL206326 0.86 S1PR1 (0.48) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205403 0.83 S1PR1 (0.48) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL205261 0.82 S1PR1 (0.45) S1PR1S1PR4S1PR5
SCHEMBL4218812 0.82 S1PR1 (0.50) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL206713 0.81 S1PR1 (0.45) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL204432 0.79 KDR (0.48) S1PR1S1PR4S1PR5KDM4EMEN1

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 S1PR1 1259/4885S1PR4 2663/4885S1PR5 2976/4885

“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.