SCHEMBL4860434

SCHEMBL4860434

COc1ccc(-c2cc3c(c(S(N)(=O)=O)c2)OCCO3)cc1CCN(CCCCC=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
PKM P14618 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
CPT1B Q92523 1/20 0.30
GAA P10253 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL4855052 0.91 ERN1 (0.33) ERN1KDM4EALDH1A1POLBTDP1
SCHEMBL4858878 0.90 ERN1 (0.34) ERN1CA2CA9PKM
SCHEMBL4858815 0.88 HSD17B1 (0.34) ERN1CA2CA9CA12
SCHEMBL4861303 0.88 NPC1 (0.34)
SCHEMBL4859704 0.87 PKM (0.41) TDP1CA2CA9PKMGAA
SCHEMBL4861301 0.86 ERN1 (0.46) ERN1KDM4EALDH1A1PDCD1CD274
SCHEMBL4851986 0.83 ALDH1A1 (0.32) ALDH1A1TDP1L3MBTL1CA2CA12
SCHEMBL4862290 0.81 ERN1 (0.34) ERN1KDM4EALDH1A1TDP1
SCHEMBL4853764 0.81 ERN1 (0.33) ERN1
SCHEMBL4851708 0.81 PKM (0.39) CA2CA9PKMGAACA12

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 ERN1 3841/4885KDM4E 3792/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ERN1 3841/4885KDM4E 3792/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ERN1 4359/4885KDM4E 3707/4885ALDH1A1 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.