SCHEMBL3421675

SCHEMBL3421675

Cc1cccc(C2CC2C(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.45
SLC9A1 P19634 1/20 0.39
ITGB2 P05107 4/20 0.37
ICAM1 P05362 4/20 0.37
ITGAL P20701 4/20 0.37
PTGS2 P35354 2/20 0.37
PTGES O14684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
AR P10275 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3419095 0.83 HTR2C (0.49) FFAR1PTGS2PTGESARPOLB
SCHEMBL15938770 0.83 HTR2A (0.50) FFAR1SLC9A1ITGB2ICAM1ITGAL
SCHEMBL14892502 0.83 FFAR1 (0.52) FFAR1SLC9A1AR
SCHEMBL3423257 0.83 FFAR1 (0.52) FFAR1SLC9A1AR
SCHEMBL2963974 0.80 CA1 (0.42) FFAR1SLC9A1KDM4EALDH1A1HPGD
SCHEMBL2957757 0.78 FFAR1 (0.43) FFAR1KDM4EALDH1A1HPGDAR
SCHEMBL27363023 0.78 FFAR1 (0.50) FFAR1KDM4EALDH1A1HPGDAR
SCHEMBL12875725 0.76 SLC9A1 (0.62) FFAR1SLC9A1PTGS2POLB
SCHEMBL7000314 0.76 SLC9A1 (0.62) FFAR1SLC9A1PTGS2POLB
SCHEMBL3422742 0.76 SLC9A1 (0.62) FFAR1SLC9A1PTGS2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 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 (2 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885SLC9A1 4718/4885ITGB2 3537/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3410/4885SLC9A1 4724/4885ITGB2 3696/4885

“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.