SCHEMBL4858815

SCHEMBL4858815

COc1ccc(-c2cc3c(c(S(N)(=O)=O)c2)OCCC3)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
P2RX3 P56373 1/20 0.30
SLC2A1 P11166 1/20 0.30
ERN1 O75460 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL4858878 0.95 ERN1 (0.34) HSD17B1CA2CA9P2RX3ERN1
SCHEMBL4859560 0.91 HSD17B1 (0.32) HSD17B1
SCHEMBL4860434 0.88 ERN1 (0.34) CA2CA9CA12ERN1
SCHEMBL4859640 0.88 NRP1 (0.30)
SCHEMBL4862290 0.87 ERN1 (0.34) HSD17B1ERN1
SCHEMBL4859808 0.87 NPSR1 (0.36) HSD17B1ERN1
SCHEMBL4853764 0.87 ERN1 (0.33) ERN1
SCHEMBL4857349 0.86 NRP1 (0.34) ERN1
SCHEMBL4859704 0.85 PKM (0.41) CA2CA9CA12
SCHEMBL4858194 0.83 NRP1 (0.33)

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 HSD17B1 331/4885CA2 397/4885CA9 1857/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HSD17B1 331/4885CA2 397/4885CA9 1857/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HSD17B1 434/4885CA2 400/4885CA9 961/4885

“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.