SCHEMBL21346465

SCHEMBL21346465

CC(S)NCc1cc(CCC(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.45
▸ FFAR4 Q5NUL3 3/20 0.45
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ TACR1 P25103 6/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR2 P41597 2/20 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
SCHEMBL18252816 0.89 FFAR1 (0.47) FFAR1FFAR4THRATHRBPPARA
SCHEMBL18255658 0.82 FFAR1 (0.50) FFAR1FFAR4THRATHRBPPARA
SCHEMBL1015795 0.78 LMNA (0.54) FFAR1FFAR4THRATHRBTACR1
SCHEMBL24951048 0.77 FFAR1 (0.46) FFAR1FFAR4THRATHRBPPARA
SCHEMBL24433933 0.76 CYP3A4 (0.41) TACR1LMNAALDH1A1CCR2
SCHEMBL30151169 0.74 FFAR4 (0.48) FFAR1FFAR4THRATHRBPPARA
SCHEMBL17310946 0.72 RXRA (0.51) FFAR1FFAR4THRATHRBTACR1
SCHEMBL21900404 0.71 RXRA (0.39) TACR1LMNAALDH1A1CCR2
SCHEMBL30151149 0.71 THRA (0.50) FFAR1FFAR4THRATHRBLMNA
SCHEMBL30151135 0.71 THRA (0.47) FFAR1FFAR4THRATHRBPPARA

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-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2019-09-12 — — 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-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 FFAR1 563/4885FFAR4 747/4885THRA 1315/4885

“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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