SCHEMBL4855039

SCHEMBL4855039

COc1ccc(-c2cccc(CCN(CCCCC=O)C(=O)OC(C)(C)C)c2)cc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ACLY P53396 14/20 0.36
BRD4 O60885 3/20 0.36
HTR4 Q13639 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4856413 0.89 BRD4 (0.38) ACLYBRD4ALDH1A1
SCHEMBL4855170 0.89 ACLY (0.42) ACLYBRD4ALDH1A1
SCHEMBL4860747 0.87 NR3C1 (0.35) ACLYBRD4ALDH1A1
SCHEMBL4851739 0.86 KMT2A (0.35) PPARGPPARAACLYBRD4ALDH1A1
SCHEMBL4861372 0.86 HTT (0.36) PPARGPPARABRD4HTR4
SCHEMBL4855325 0.78 BRD4 (0.40) ACLYBRD4ALDH1A1
SCHEMBL4855030 0.78 KMT2A (0.42) PPARGPPARAALDH1A1
SCHEMBL4851734 0.77 KMT2A (0.41) PPARGPPARAALDH1A1
SCHEMBL4858877 0.76 LPAR1 (0.38) ACLYBRD4ALDH1A1
SCHEMBL4860073 0.76 GRM2 (0.35) BRD4HTR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PPARG 2344/4885PPARA 2081/4885ACLY 1302/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PPARG 2344/4885PPARA 2081/4885ACLY 1302/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PPARG 1983/4885PPARA 1252/4885ACLY 418/4885

“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.