SCHEMBL5308756

SCHEMBL5308756

COC(=O)CCCC(=O)c1cc2c(c(S(=O)(=O)Cl)c1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL5308064 0.89 PTGS1 (0.47) PTGS2PTGS1TSHRCA12CA1
SCHEMBL14529320 0.88 PTGS1 (0.47) PTGS2PTGS1TSHRALDH1A1GLA
SCHEMBL4859405 0.84 PTGS2 (0.48) PTGS2PTGS1ALOX5CTNNB1WNT3A
SCHEMBL4852362 0.77 PTGS2 (0.42) PTGS2PTGS1CTNNB1WNT3A
SCHEMBL4857154 0.76 PTGS2 (0.47) PTGS2PTGS1ALDH1A1ALOX5KMT2A
SCHEMBL5311636 0.74 CTNNB1 (0.53) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL5308047 0.74 PTGS2 (0.47) PTGS2PTGS1CA2ALOX5CTNNB1
SCHEMBL4861134 0.74 PTGS2 (0.47) PTGS2PTGS1CA12CA1CA2
SCHEMBL4860602 0.73 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4856564 0.73 PTGS2 (0.45) PTGS2PTGS1ALDH1A1SMN1; SMN2ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US 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 (1 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 PTGS2 638/4885PTGS1 344/4885TSHR 3796/4885

“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.