SCHEMBL15046558

SCHEMBL15046558

CCc1ccc(=O)n(C(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.62
MGLL Q99685 2/20 0.36
CREBBP Q92793 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYR P14679 1/20 0.33
EGFR P00533 1/20 0.32
APAF1 O14727 1/20 0.31
MITF O75030 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15807129 0.82 PTGS2 (0.42) PTGS2MGLLALDH1A1NPC1LMNA
SCHEMBL15046628 0.74 PTGS2 (0.51) PTGS2CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL12218653 0.71 BRD4 (0.41) MGLLCREBBPALDH1A1NPC1LMNA
SCHEMBL21350505 0.71 PTGS2 (0.67) PTGS2MGLLALDH1A1NPC1LMNA
SCHEMBL25974996 0.69 PTGS2 (0.49) PTGS2MGLLCREBBP
SCHEMBL12217560 0.69 CREBBP (0.42) MGLLCREBBPALDH1A1NPC1LMNA
SCHEMBL27963795 0.69 MGLL (0.39) MGLLALDH1A1NPC1LMNAMAPT
SCHEMBL15043889 0.69 PTGS2 (0.47) PTGS2CREBBPALDH1A1NPC1LMNA
SCHEMBL15832407 0.69 PTGS2 (0.38) PTGS2CREBBP
SCHEMBL15473327 0.67 PTGDR2 (0.43) MGLLCREBBPALDH1A1NPC1LMNA

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 6 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-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-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 (4 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 PTGS2 977/4885MGLL 1196/4885CREBBP 2932/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885MGLL 781/4885CREBBP 3684/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885MGLL 781/4885CREBBP 3684/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885MGLL 781/4885CREBBP 3684/4885

“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.