SCHEMBL15043735

SCHEMBL15043735

CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 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
SCHEMBL4982671 0.87 TSHR (0.46) ALDH1A1TSHRCYP2C19HIF1APTPN1
SCHEMBL30788816 0.79 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19HIF1ATAAR1
SCHEMBL10324871 0.76 TAAR1 (0.44) ALDH1A1TSHRCYP2C19HIF1ATAAR1
SCHEMBL5012067 0.75 TSHR (0.52) ALDH1A1TSHRCYP2C19HIF1ATAAR1
SCHEMBL6680835 0.75 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19PTPN1MAPT
SCHEMBL11058449 0.74 ALDH1A1 (0.46) ALDH1A1TSHRCYP2C19HIF1ATAAR1
SCHEMBL16886228 0.70 NR1H3 (0.57) ALDH1A1TSHRNR1H2NR1H3
SCHEMBL11601071 0.70 TSHR (0.46) ALDH1A1TSHRCYP2C19TAAR1PTPN1
SCHEMBL5409516 0.70 TAAR1 (0.48) ALDH1A1TSHRTAAR1PTPN1
SCHEMBL25220549 0.69 CYP2C19 (0.64) ALDH1A1TSHRCYP2C19HIF1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (5 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 ALDH1A1 4469/4885TSHR 2871/4885CYP2C19 1129/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 ALDH1A1 4469/4885TSHR 2871/4885CYP2C19 1129/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP2C19 3002/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP2C19 3002/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885TSHR 2647/4885CYP2C19 3002/4885

“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.