SCHEMBL15043889

SCHEMBL15043889

CC(C)(C)c1ccc(=O)n(C(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 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
SCHEMBL15043724 0.87 PTGS2 (0.39) PTGS2ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL15043713 0.82 SCN10A (0.36) PTGS2ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL21350505 0.74 PTGS2 (0.67) PTGS2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL15046628 0.74 PTGS2 (0.51) PTGS2ALDH1A1POLBCREBBPMAPT
SCHEMBL783280 0.71 CCR9 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL15119911 0.71 TSHR (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25974996 0.69 PTGS2 (0.49) PTGS2CREBBP
SCHEMBL14155861 0.69 TNKS (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL21483640 0.69 P2RX3 (0.39) PTGS2ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL15046558 0.69 PTGS2 (0.62) PTGS2ALDH1A1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 US disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 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 (6 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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD PTGS2 3141/4885ALDH1A1 972/4885NPC1 2484/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 PTGS2 977/4885ALDH1A1 4469/4885NPC1 702/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 PTGS2 977/4885ALDH1A1 4469/4885NPC1 702/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885ALDH1A1 4051/4885NPC1 533/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD PTGS2 3141/4885ALDH1A1 972/4885NPC1 2484/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885ALDH1A1 4051/4885NPC1 533/4885

“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.