SCHEMBL2945635

SCHEMBL2945635

Cc1cc(C(=O)NCC(O)CO)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 2/20 0.36
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KDR P35968 2/20 0.34
HPGD P15428 1/20 0.34
RORC P51449 2/20 0.33
SLC2A1 P11166 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
ADORA1 P30542 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PTGDR Q13258 1/20 0.31

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
SCHEMBL2950967 0.93 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HRH1CCR3
SCHEMBL2950962 0.93 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HRH1CCR3
SCHEMBL2950561 0.90 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19MAPK14HPGD
SCHEMBL2950211 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19RORCSLC2A1
SCHEMBL2942764 0.88 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19RORCSLC2A1
SCHEMBL2946687 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19RORCSLC2A1
SCHEMBL2947697 0.86 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19HPGDRORC
SCHEMBL2951259 0.86 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19MAPK14RORC
SCHEMBL2638917 0.86 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19RORCSLC2A1
Trifluoroacetic Acid SCHEMBL2952312 0.84 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19HPGDSLC2A1

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-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US claimed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 CYP3A4 889/4885CYP2C9 1726/4885CYP2C19 1432/4885

“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.