SCHEMBL4860428

SCHEMBL4860428

COc1ccccc1CCN(CCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCCO2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.35
CPT1A P50416 1/20 0.34
CPT1B Q92523 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
SCHEMBL4855046 0.91 CTNNB1 (0.39) CTNNB1WNT3AALDH1A1LMNASMN1; SMN2
SCHEMBL5577155 0.90 SMN1; SMN2 (0.37) CTNNB1WNT3AALDH1A1LMNASMN1; SMN2
SCHEMBL4858874 0.89 ACHE (0.38) CTNNB1WNT3AALDH1A1LMNASMN1; SMN2
SCHEMBL5576976 0.89 ACHE (0.39) CTNNB1WNT3AACHEPTGES2
SCHEMBL4858812 0.88 CTNNB1 (0.40) CTNNB1WNT3ASMN1; SMN2MAPTACHE
SCHEMBL4861300 0.87 NPC1 (0.41) CTNNB1WNT3AALDH1A1LMNASMN1; SMN2
SCHEMBL4851983 0.86 SMN1; SMN2 (0.51) CTNNB1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL13987486 0.85 TAAR1 (0.42) CTNNB1WNT3AALDH1A1ACHETAAR1
SCHEMBL4859697 0.84 PKM (0.48) ALDH1A1TDP1ACHEPTGES2PKM
SCHEMBL4861293 0.84 CTNNB1 (0.58) CTNNB1WNT3AALDH1A1LMNASMN1; SMN2

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 CTNNB1 2598/4885WNT3A 3076/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CTNNB1 2598/4885WNT3A 3076/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CTNNB1 4153/4885WNT3A 4058/4885ALDH1A1 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.