SCHEMBL23914593

SCHEMBL23914593

FC(F)(F)c1cc2nc(CCl)cn2cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.50
TRPV1 Q8NER1 2/20 0.38
TRPA1 O75762 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CNR2 P34972 1/20 0.34
S1PR1 P21453 1/20 0.34
HPGD P15428 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL23909058 0.84 S1PR2 (0.53) S1PR2SUV39H2
SCHEMBL23909074 0.73 S1PR2 (0.56) S1PR2CNR2SUV39H2
SCHEMBL23530804 0.72 KDM4E (0.35) CTSSCTSKHPGD
SCHEMBL1919321 0.70 HPGD (0.47) TRPV1TRPA1TRPM8CTSSCTSK
SCHEMBL23915298 0.69 S1PR2 (0.41) S1PR2
SCHEMBL1905513 0.66
SCHEMBL23915569 0.66 TRPA1 (0.41) S1PR2TRPV1TRPA1TRPM8CTSS
SCHEMBL23914588 0.65 TRPA1 (0.44) TRPV1TRPA1TRPM8CNR2HPGD
SCHEMBL21355679 0.65 RXRA (0.33) HTR2AHTR2C
SCHEMBL21355834 0.64 KLKB1 (0.41)

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885TRPV1 316/4885TRPA1 656/4885

“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.