SCHEMBL5576935

SCHEMBL5576935

NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
KLF5 Q13887 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
PAX8 Q06710 1/20 0.34
ROCK2 O75116 1/20 0.34
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTNNB1 P35222 3/20 0.33
WNT3A P56704 3/20 0.33

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
Hydrochloric Acid SCHEMBL5576999 0.99 PTGDR2 (0.37) PTGDR2KLF5ALDH1A1LMNATP53
SCHEMBL5308103 0.90 PTGS1 (0.36) PTGDR2ROCK2HSD17B13SLC2A1CA12
SCHEMBL13987486 0.89 TAAR1 (0.42) ALDH1A1NPC1RAB9ATAAR1CTNNB1
Bromide SCHEMBL5576990 0.89 PTGS1 (0.36) PTGDR2ROCK2HSD17B13SLC2A1CA12
Hydrochloric Acid SCHEMBL5310493 0.89 PTGS1 (0.36) PTGDR2ROCK2HSD17B13SLC2A1CA12
SCHEMBL5307952 0.89 PTGS1 (0.36) PTGDR2ROCK2HSD17B13SLC2A1CA12
Hydrochloric Acid SCHEMBL4857039 0.89 TAAR1 (0.42) ALDH1A1TAAR1CTNNB1WNT3ASLC2A1
SCHEMBL5308091 0.88 PTGS1 (0.37) PTGDR2ROCK2HSD17B13SLC2A1
Hydrochloric Acid SCHEMBL5311251 0.88 PTGS1 (0.35) PTGDR2ROCK2HSD17B13SLC2A1CA12
SCHEMBL5577155 0.86 SMN1; SMN2 (0.37) PTGDR2KLF5ALDH1A1LMNATP53

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 4 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
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 PTGDR2 707/4885KLF5 3139/4885ALDH1A1 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.