SCHEMBL3227932

SCHEMBL3227932

CC(C)(C)C1CCC(C(=O)CBr)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
GLA P06280 1/20 0.42
LIPA P38571 1/20 0.42
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
NLRP3 Q96P20 1/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL1836574 1.00 HSD11B1 (0.46) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL16366 0.83
SCHEMBL232996 0.81
SCHEMBL17391722 0.78 NLRP3 (0.37) LIPANLRP3
SCHEMBL4438593 0.78 HSD11B1 (0.46) HSD11B1GLALIPAEPHX1NPC1
SCHEMBL17391723 0.78 NLRP3 (0.37) LIPANLRP3
SCHEMBL1840129 0.77 NLRP3 (0.39) EPHX1NPC1ALDH1A1MAPTNLRP3
SCHEMBL3218062 0.77 NLRP3 (0.39) EPHX1NPC1ALDH1A1MAPTNLRP3
SCHEMBL26352813 0.77 NLRP3 (0.39) NLRP3
SCHEMBL9912093 0.77 NLRP3 (0.42) NLRP3

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 2 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

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 HSD11B1 3840/4885GLA 4349/4885LIPA 2456/4885

“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.