SCHEMBL4859966

SCHEMBL4859966

COc1ccc(C(=O)CCCCN(CCc2ccccc2Cl)C(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACLY P53396 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL4859853 0.93 NPSR1 (0.48) NPSR1POLBPKMTDP1MAPT
SCHEMBL4856756 0.91 NPSR1 (0.51) NPSR1POLBPKMTDP1ACLY
SCHEMBL14513383 0.89 NPSR1 (0.44) NPSR1POLBPKMMAPTKDM4E
SCHEMBL4861490 0.88 PKM (0.41) PKMTDP1HDAC8RAF1MAP2K1
SCHEMBL13987476 0.88 NPSR1 (0.50) NPSR1POLBPKMTDP1ACLY
Hydrochloric Acid SCHEMBL4851763 0.87 NPSR1 (0.49) NPSR1POLBPKMTDP1ACLY
SCHEMBL4859166 0.84 MAPT (0.39) POLBACLYMAPTCPT1ACPT1B
SCHEMBL4852122 0.84 NPSR1 (0.53) NPSR1POLBPKMTDP1MAPT
SCHEMBL4860935 0.83 MAPT (0.39) POLBACLYMAPTCPT1ACPT1B
SCHEMBL13987475 0.83 NPSR1 (0.52) NPSR1POLBPKMTDP1ACLY

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 577/4885POLB 1937/4885PKM 3404/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPSR1 577/4885POLB 1937/4885PKM 3404/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NPSR1 1430/4885POLB 1453/4885PKM 3713/4885

“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.