SCHEMBL4852124

SCHEMBL4852124

COc1ccc(-c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.41
ITGB3 P05106 8/20 0.39
ITGAV P06756 8/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4859859 0.90 NPSR1 (0.42) NPSR1KDM4EITGB3ITGAVMAPT
SCHEMBL4859808 0.88 NPSR1 (0.36) NPSR1KDM4EITGB3ITGAV
SCHEMBL4859704 0.87 PKM (0.41) MAPTPKM
SCHEMBL4855325 0.82 BRD4 (0.40) MAPTKMT2AALDH1A1
SCHEMBL4851708 0.80 PKM (0.39) MAPTPKM
SCHEMBL4857349 0.79 NRP1 (0.34)
SCHEMBL4851586 0.79 NPSR1 (0.33) NPSR1
SCHEMBL4860434 0.77 ERN1 (0.34) KDM4EPOLBPKMALDH1A1
SCHEMBL4858815 0.77 HSD17B1 (0.34)
SCHEMBL4852122 0.77 NPSR1 (0.53) NPSR1KDM4EMAPTPOLBPKM

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 NPSR1 577/4885KDM4E 3792/4885ITGB3 3619/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPSR1 577/4885KDM4E 3792/4885ITGB3 3619/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NPSR1 1430/4885KDM4E 3707/4885ITGB3 4583/4885

“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.