SCHEMBL2963974

SCHEMBL2963974

COc1cccc(C2CC2C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FFAR1 O14842 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MASP2 O00187 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAPDH P04406 1/20 0.39
POLB P06746 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HSPA8 P11142 1/20 0.39
HPGD P15428 1/20 0.39
JUND P17535 1/20 0.39
TNNI3 P19429 1/20 0.39

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
SCHEMBL1208921 0.84 HTR2A (0.50) CA1CA2CA9CA12FFAR1
SCHEMBL17103923 0.84 HTR2A (0.50) CA1CA2CA9CA12FFAR1
SCHEMBL2969354 0.84 FFAR1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL2968329 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL3421675 0.80 FFAR1 (0.45) FFAR1KDM4ETDP1ALDH1A1POLB
SCHEMBL15938770 0.80 HTR2A (0.50) FFAR1ALDH1A1DRD2KMT2ASLC9A1
SCHEMBL2961356 0.78 TP53 (0.46) CA1CA2CA9CA12KDM4E
SCHEMBL16585301 0.77 FFAR4 (0.46) CA1CA2CA9CA12FFAR1
SCHEMBL16585298 0.77 FFAR4 (0.46) CA1CA2CA9CA12FFAR1
SCHEMBL24737345 0.77 CA1 (0.48) CA1CA2CA9CA12ALDH1A1

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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 CA1 3611/4885CA2 4177/4885CA9 4596/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 CA1 3540/4885CA2 4199/4885CA9 4599/4885

“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.