SCHEMBL14011302

SCHEMBL14011302

CC(C)C(=O)Cc1nccs1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
ALDH1A1 P00352 2/20 0.41
SLC6A3 Q01959 3/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
ACACB O00763 1/20 0.37
CYP3A4 P08684 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 1/20 0.36
CTSK P43235 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
SCHEMBL6298490 0.82 FDPS (0.44) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL4759129 0.80
SCHEMBL26865302 0.79 HTT (0.45) FDPSALDH1A1PKMACACB
SCHEMBL3428398 0.76
SCHEMBL9120605 0.76
SCHEMBL5226040 0.76 FDPS (0.43) FDPSALDH1A1TSHRPKMCYP3A4
SCHEMBL5043060 0.76 FDPS (0.43) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL19765222 0.75 CYP3A4 (0.46) FDPSALDH1A1PKMACACBCYP3A4
SCHEMBL15572413 0.75 FDPS (0.46) FDPSALDH1A1SLC6A3TSHRPKM
SCHEMBL15573121 0.75 FDPS (0.46) FDPSALDH1A1SLC6A3TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20100298270-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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 (3 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 FDPS 4182/4885ALDH1A1 1440/4885SLC6A3 3310/4885
US-20100298270-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 FDPS 2762/4885ALDH1A1 374/4885SLC6A3 4273/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 FDPS 2043/4885ALDH1A1 430/4885SLC6A3 2300/4885

“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.