SCHEMBL12565640

SCHEMBL12565640

CC(C)(C)N1CCC(NC(=O)C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SSTR4 P31391 7/20 0.39
SSTR1 P30872 5/20 0.39
GAA P10253 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
KDM5A P29375 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CTSK P43235 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL16072920 1.00 ALDH1A1 (0.41) ALDH1A1SSTR4SSTR1GAAPDK1
SCHEMBL13923527 1.00 ALDH1A1 (0.41) ALDH1A1SSTR4SSTR1GAAPDK1
SCHEMBL16072937 0.90 ALDH1A1 (0.46) ALDH1A1SSTR4SSTR1GAAPDK1
SCHEMBL23502256 0.86 ALDH1A1 (0.54) ALDH1A1SSTR4SSTR1GAAKDM5A
SCHEMBL12227429 0.81 CA1 (0.44) ALDH1A1KDM5ACA12CA1CA2
SCHEMBL1487188 0.81 CTSK (0.39) ALDH1A1SSTR4CA12CA1CA2
SCHEMBL12227430 0.81 CA1 (0.44) ALDH1A1KDM5ACA12CA1CA2
SCHEMBL1265815 0.81 CTSK (0.39) ALDH1A1SSTR4CA12CA1CA2
SCHEMBL743576 0.81 CTSK (0.39) ALDH1A1SSTR4CA12CA1CA2
SCHEMBL8222149 0.81 CA1 (0.44) ALDH1A1KDM5ACA12CA1CA2

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-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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 (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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R ALDH1A1 2302/4885SSTR4 3702/4885SSTR1 4375/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R ALDH1A1 2302/4885SSTR4 3702/4885SSTR1 4375/4885

“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.