SCHEMBL4862735

SCHEMBL4862735

CC(C)(C)OC(=O)N(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCCO2)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
KLF5 Q13887 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 7/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA4 P22748 4/20 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
SCHEMBL4861424 0.90 NPC1 (0.38) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4855046 0.89 CTNNB1 (0.39) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4851983 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL14513384 0.87 ALDH1A1 (0.34) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4861365 0.81 PKM (0.46) SMN1; SMN2TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL4860428 0.81 CTNNB1 (0.40) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4861300 0.80 NPC1 (0.41) SMN1; SMN2TDP1ALDH1A1LMNATP53
SCHEMBL4862737 0.79 ADRB3 (0.31)
SCHEMBL4851911 0.79 PTGS1 (0.38) NPC1RAB9ACA12CA1CA2
SCHEMBL5577155 0.79 SMN1; SMN2 (0.37) SMN1; SMN2TDP1ALDH1A1LMNATP53

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 SMN1; SMN2 1472/4885TDP1 989/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 SMN1; SMN2 1472/4885TDP1 989/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE SMN1; SMN2 1418/4885TDP1 1472/4885ALDH1A1 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.