SCHEMBL4093856

SCHEMBL4093856

Cc1ccc(-c2cc3c(cc(C(=O)O)n3Cc3ccccc3-c3ccc(C)s3)s2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
THRB P10828 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
CCR9 P51686 1/20 0.35
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 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
SCHEMBL4091787 0.84 CCR2 (0.36) CCR2GFERHSD17B10MAPTTHRB
SCHEMBL4097166 0.81 CCR9 (0.45) CCR2GFERHSD17B10MAPTTHRB
SCHEMBL4086498 0.81 TP53 (0.46) CCR2MAPTTHRBTP53USP2
SCHEMBL4092463 0.80 CCR2 (0.55) CCR2MAPTTHRBTP53CCR9
SCHEMBL4093522 0.69 CCR2 (0.53) CCR2MAPTTHRBCCR9GPR35
SCHEMBL13472040 0.67 ADRA1A (0.40) HSD17B10MAPTTHRBCYP1A2CYP3A4
SCHEMBL4105667 0.67 PTGES (0.48) GFERHSD17B10THRBHPGDALDH1A1
SCHEMBL24801870 0.66 PDCD1 (0.46) HSD17B10TP53SMN1; SMN2HPGDALDH1A1
SCHEMBL4092145 0.65 MAPT (0.42) CCR2MAPTTHRBTP53CCR9
SCHEMBL4104997 0.65 CCR2 (0.53) CCR2MAPTTHRBTP53CCR9

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES CCR2 1118/4885GFER 3194/4885HSD17B10 3431/4885

“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.