SCHEMBL1358868

SCHEMBL1358868

CS(=O)(=O)Oc1c(Br)ccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PPARG P37231 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
AR P10275 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MAOB P27338 5/20 0.43
P2RY14 Q15391 1/20 0.42
ACHE P22303 1/20 0.42
MAOA P21397 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL9939707 0.84 ALOX5 (0.56) ALOX5NPC1RAB9ACA12CA1
SCHEMBL1359920 0.80 P2RY14 (0.45) ALOX5ARMAOBP2RY14MAOA
SCHEMBL1360827 0.76 ALOX5 (0.59) ALOX5NPC1RAB9AHPGDCA12
SCHEMBL19612330 0.74 ALOX5 (0.61) ALOX5NPC1RAB9ACA12CA1
SCHEMBL2004893 0.73 AR (0.64) PPARGNPC1RAB9AARHPGD
SCHEMBL31487931 0.72 MAOB (0.63) ALOX5NPC1RAB9AARHPGD
SCHEMBL27635587 0.72 MAOB (0.63) ALOX5NPC1RAB9AARHPGD
SCHEMBL19612377 0.72 ALOX5 (0.58) ALOX5NPC1RAB9AMAOBACHE
SCHEMBL19612473 0.71 ALOX5 (0.61) ALOX5NPC1RAB9ACA12CA1
SCHEMBL31487932 0.71 MAOB (0.61) NPC1RAB9AARHPGDSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO 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 (2 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-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 ALOX5 351/4885PPARG 784/4885NPC1 1814/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ALOX5 351/4885PPARG 784/4885NPC1 1814/4885

“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.