SCHEMBL4858878

SCHEMBL4858878

COc1ccc(-c2cc3c(c(S(N)(=O)=O)c2)OCC3)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
NRP1 O14786 5/20 0.32
P2RX3 P56373 1/20 0.31
HSD17B1 P14061 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4858815 0.95 HSD17B1 (0.34) ERN1P2RX3HSD17B1CA2CA9
SCHEMBL4862290 0.92 ERN1 (0.34) ERN1NRP1HSD17B1
SCHEMBL4853764 0.91 ERN1 (0.33) ERN1NRP1HTR2AHTR2C
SCHEMBL4857349 0.91 NRP1 (0.34) ERN1NRP1
SCHEMBL4860434 0.90 ERN1 (0.34) ERN1CA2CA9PKM
SCHEMBL4859808 0.89 NPSR1 (0.36) ERN1NRP1HSD17B1
SCHEMBL4858194 0.88 NRP1 (0.33) NRP1
SCHEMBL4859704 0.87 PKM (0.41) CA2CA9PKM
SCHEMBL4859560 0.87 HSD17B1 (0.32) HSD17B1
SCHEMBL4859640 0.83 NRP1 (0.30) NRP1

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 ERN1 3841/4885NRP1 1630/4885P2RX3 1647/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ERN1 3841/4885NRP1 1630/4885P2RX3 1647/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ERN1 4359/4885NRP1 1895/4885P2RX3 2802/4885

“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.