SCHEMBL3218062

SCHEMBL3218062

CC1CCC(C(=O)CBr)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 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
SCHEMBL1840129 1.00 NLRP3 (0.39) NLRP3ALDH1A1EPHX1NPC1TRPA1
SCHEMBL16366 0.87
SCHEMBL232996 0.85
SCHEMBL26352813 0.81 NLRP3 (0.39) NLRP3TRPA1
SCHEMBL17208385 0.80 ALDH1A1 (0.35) ALDH1A1EPHX1NPC1MAPTPOLB
SCHEMBL7737609 0.80 ALDH1A1 (0.35) ALDH1A1EPHX1NPC1MAPTPOLB
SCHEMBL15199188 0.80 ALDH1A1 (0.35) ALDH1A1EPHX1NPC1MAPTPOLB
SCHEMBL9912093 0.80 NLRP3 (0.42) NLRP3TRPA1
SCHEMBL14981377 0.78 NLRP3 (0.41) NLRP3
SCHEMBL21834039 0.78 LMNA (0.48) NLRP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 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 (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-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use MC4R, MC3R, MC5R NLRP3 237/4885ALDH1A1 2694/4885EPHX1 4483/4885

“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.