SCHEMBL4859853

SCHEMBL4859853

COc1ccccc1CCN(CCCCC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL14513383 0.94 NPSR1 (0.44) NPSR1POLBPKMKDM4EMAPT
SCHEMBL4859966 0.93 NPSR1 (0.46) NPSR1POLBPKMMAPK1KMT2A
SCHEMBL4852122 0.91 NPSR1 (0.53) NPSR1POLBPKMACHEBCHE
SCHEMBL4859871 0.87 PKM (0.43) PKMACHEBCHEMEN1MAPK1
SCHEMBL5312949 0.86 NPSR1 (0.48) NPSR1POLBPKMKDM4EMAPT
SCHEMBL4851584 0.86 NPSR1 (0.35) NPSR1ACHEBCHEADRB2
SCHEMBL4856756 0.84 NPSR1 (0.51) NPSR1POLBPKMMEN1KMT2A
SCHEMBL4856412 0.83 ALDH1A1 (0.40) POLBACHEBCHEMEN1KMT2A
SCHEMBL4860745 0.83 ALDH1A1 (0.39) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL13987473 0.82 NPSR1 (0.54) NPSR1POLBPKMACHEBCHE

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.