SCHEMBL17125415

SCHEMBL17125415

CC(F)Oc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ STIM1 Q13586 7/20 0.47
▸ ORAI1 Q96D31 7/20 0.47
▸ MAPKAPK2 P49137 1/20 0.45
▸ TRPC1 P48995 3/20 0.44
▸ TRPC3 Q13507 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ ALKBH2 Q6NS38 1/20 0.41
▸ PTPN11 Q06124 2/20 0.41
▸ STIM2 Q9P246 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ MRGPRX4 Q96LA9 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
SCHEMBL2712001 0.91 MEN1 (0.56) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL2710339 0.91 KMT2A (0.54) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL17125370 0.89 MEN1 (0.57) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL17125398 0.86 MAPKAPK2 (0.57) MEN1NPC1RAB9AKMT2AMAPKAPK2
SCHEMBL182309 0.85 MAPKAPK2 (0.61) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL2710501 0.83 MEN1 (0.60) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL2708635 0.83 MEN1 (0.64) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL182504 0.83 MEN1 (0.57) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL17125387 0.83 MEN1 (0.60) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL2709532 0.82 NPC1 (0.54) MEN1NPC1RAB9AKMT2ASTIM1

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 MEN1 3684/4885NPC1 1560/4885RAB9A 3615/4885

“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.

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