SCHEMBL17125352

SCHEMBL17125352

CC(F)(F)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
STIM1 Q13586 6/20 0.43
ORAI1 Q96D31 6/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPC1 P48995 2/20 0.42
TRPC3 Q13507 2/20 0.42
STIM2 Q9P246 1/20 0.42
KMO O15229 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RORC P51449 1/20 0.41
RPA1 P27694 1/20 0.41
OPRD1 P41143 1/20 0.41
P2RY14 Q15391 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTPN11 Q06124 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL185371 0.90 KMT2A (0.49) STIM1ORAI1MEN1NPC1RAB9A
SCHEMBL17125361 0.89 KMT2A (0.52) RXRARXRBMEN1NPC1RAB9A
SCHEMBL17125386 0.89 MEN1 (0.47) STIM1ORAI1MEN1NPC1RAB9A
SCHEMBL17125362 0.87 RXRA (0.45) RXRARXRBMEN1NPC1RAB9A
SCHEMBL17125348 0.85 STIM1 (0.46) RXRARXRBSTIM1ORAI1MEN1
SCHEMBL181928 0.84 HTT (0.52) STIM1ORAI1MEN1KMT2AKMO
SCHEMBL181876 0.84 KMT2A (0.51) STIM1ORAI1MEN1KMT2AKMO
SCHEMBL182162 0.83 KMO (0.53) STIM1ORAI1NPC1RAB9AKMO
SCHEMBL2710440 0.83 ALDH1A1 (0.49) RXRARXRBMEN1NPC1RAB9A
SCHEMBL182299 0.83 AURKA (0.53) STIM1ORAI1KMORPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL RXRA 3460/4885RXRB 3436/4885STIM1 3220/4885

“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.