SCHEMBL4858877

SCHEMBL4858877

COc1ccc(-c2ccccc2CCN(CCCCCC=O)C(=O)O)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACLY P53396 8/20 0.37
MAPT P10636 1/20 0.37
NR3C1 P04150 1/20 0.36
BRD4 O60885 2/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
IRAK1 P51617 1/20 0.36
PTK2 Q05397 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SLK Q9H2G2 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4851739 0.90 KMT2A (0.35) LPAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4862150 0.89 ACLY (0.37) LPAR1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4855325 0.89 BRD4 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2ACLY
SCHEMBL4855170 0.84 ACLY (0.42) ALDH1A1ACLYNR3C1BRD4
SCHEMBL4860747 0.81 NR3C1 (0.35) KMT2AALDH1A1ACLYMAPTNR3C1
SCHEMBL4856413 0.80 BRD4 (0.38) KMT2AALDH1A1ACLYMAPTBRD4
SCHEMBL4862142 0.77 ALDH1A1 (0.44) KMT2AALDH1A1MEN1SMN1; SMN2NR3C1
SCHEMBL4857352 0.76 MEN1 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2ACLY
SCHEMBL4855039 0.76 PPARG (0.37) ALDH1A1ACLYBRD4
SCHEMBL4855322 0.76 ALDH1A1 (0.44) KMT2AALDH1A1MEN1SMN1; SMN2NR3C1

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 LPAR1 854/4885KMT2A 2316/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LPAR1 854/4885KMT2A 2316/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LPAR1 1314/4885KMT2A 1894/4885ALDH1A1 212/4885

“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.