SCHEMBL5228900

SCHEMBL5228900

CC1CCC(C(=O)N(c2nn(-c3cccc(F)c3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
GRM5 P41594 1/20 0.34
CACNA2D1 P54289 1/20 0.33
HSP90AA1 P07900 2/20 0.33
ADORA2A P29274 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5228892 1.00 NOTUM (0.36) NOTUMGRM5CACNA2D1HSP90AA1ADORA2A
SCHEMBL5237634 0.90 ALDH1A1 (0.41) NOTUMGRM5ADORA2AMEN1KMT2A
SCHEMBL5231408 0.90 LMNA (0.37) NOTUMGRM5MEN1KMT2ALMNA
SCHEMBL5228821 0.90 MLLT3 (0.34) CACNA2D1LMNANPC1SMN1; SMN2POLB
SCHEMBL5238921 0.90 LMNA (0.37) NOTUMGRM5MEN1KMT2ALMNA
SCHEMBL5237695 0.90 MLLT3 (0.34) CACNA2D1LMNANPC1SMN1; SMN2POLB
SCHEMBL5232564 0.90 ALDH1A1 (0.41) NOTUMGRM5ADORA2AMEN1KMT2A
SCHEMBL5230228 0.89 ALDH1A1 (0.39) MEN1KMT2ALMNAADORA3SMN1; SMN2
SCHEMBL5230218 0.89 ALDH1A1 (0.39) MEN1KMT2ALMNAADORA3SMN1; SMN2
SCHEMBL5234272 0.88 CA12 (0.34) MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L NOTUM 2353/4885GRM5 2307/4885CACNA2D1 4812/4885

“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.