SCHEMBL4091787

SCHEMBL4091787

Cc1csc(-c2cc3c(cc(C(=O)O)n3Cc3ccccc3-c3cc(C)cs3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.36
CCR9 P51686 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 4/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4093856 0.84 CCR2 (0.38) CCR2CCR9MAPTALDH1A1POLB
SCHEMBL4092145 0.80 MAPT (0.42) CCR2CCR9MAPTALDH1A1POLB
SCHEMBL4104997 0.80 CCR2 (0.53) CCR2CCR9MAPTTHRBABCB11
SCHEMBL4097166 0.68 CCR9 (0.45) CCR2CCR9MAPTTHRBABCB11
SCHEMBL4086498 0.67 TP53 (0.46) CCR2CCR9MAPTALDH1A1POLB
SCHEMBL4093522 0.67 CCR2 (0.53) CCR2CCR9MAPTTHRBABCB11
SCHEMBL5723315 0.67 PDCD1 (0.43)
SCHEMBL4092463 0.67 CCR2 (0.55) CCR2CCR9MAPTTHRBABCB11
SCHEMBL9016813 0.66 CYP1A2 (0.46) MAPTALDH1A1POLBTDP1CYP1A2
SCHEMBL4098431 0.63 CCR2 (0.53) CCR2CCR9GPR35

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 1118/4885CCR9 2391/4885MAPT 54/4885

“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.