SCHEMBL1285772

SCHEMBL1285772

Cc1c(C)c2c(c(C=Cc3nccs3)c1O)CCC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
RIOK2 Q9BVS4 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP4F2 P78329 1/20 0.32
CCR5 P51681 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
SCHEMBL1285770 1.00 NLRP3 (0.36) NLRP3RIOK2PTGS1PTGS2CYP1A2
SCHEMBL1286098 0.75 PTGS2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1286097 0.75 PTGS2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285734 0.75 ALOX5 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285733 0.75 ALOX5 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL633489 0.73 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL633424 0.69 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL29788307 0.69 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285831 0.65 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5796169 0.65 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-8791155-B2 Chroman derivatives EDISON PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20120088783-A1 CHROMAN DERIVATIVES AMPERE LIFE SCIENCES, INC. (US) 2012-04-12 US disclosed
US-8044097-B2 Chroman derivatives AMPERE LIFE SCIENCES, INC. (US) 2011-10-25 US disclosed
US-20090192179-A1 CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7514461-B2 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis EDISON PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
WO-2005033092-A1 CHROMAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065150-A1 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis PTC THERAPEUTICS, INC. 2005-03-24 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 (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-20120088783-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM NLRP3 264/4885RIOK2 2684/4885PTGS1 214/4885
US-20090192179-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM NLRP3 264/4885RIOK2 2684/4885PTGS1 214/4885
US-20050065150-A1 Lipoxygenase moderators; autoimmune disease; neurodegenerative disease; respiratory system disorders; cardiovascular disorders; Alzheimer's disease; Parkinson's disease; amyotropic lateral sclerosis ALOX12, ALOX15, ALOX15B NLRP3 720/4885RIOK2 3033/4885PTGS1 296/4885

“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.