SCHEMBL2962486

SCHEMBL2962486

COc1ccc(Cl)c(C2CC2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
SLC9A1 P19634 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
P2RX7 Q99572 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
KMO O15229 2/20 0.40
HSPA1A P0DMV8 1/20 0.39
PTPN7 P35236 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
SCHEMBL2968543 0.84 MTNR1A (0.44) FFAR1SLC9A1MTNR1AMTNR1BP2RX7
SCHEMBL2957759 0.84 MTNR1A (0.60) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2134742 0.82 FFAR1 (0.47) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL21921670 0.82 FFAR1 (0.47) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL2134746 0.82 FFAR1 (0.47) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL3418572 0.80 FFAR1 (0.48) FFAR1SLC9A1KMO
SCHEMBL24738015 0.80 SLC9A1 (0.64) FFAR1SLC9A1MEN1KMT2AKMO
SCHEMBL29302263 0.80 SLC9A1 (0.64) FFAR1SLC9A1MEN1KMT2AKMO
SCHEMBL10288350 0.79 FFAR1 (0.47) FFAR1KMT2A
SCHEMBL2133690 0.79 FFAR1 (0.47) FFAR1KMT2A

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 FFAR1 3410/4885SLC9A1 4724/4885MTNR1A 1374/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885SLC9A1 4718/4885MTNR1A 1358/4885

“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.