SCHEMBL17099050

SCHEMBL17099050

CCOC(=O)[C@]1(CC)CC[C@H](n2ncc(C(=O)O)c2C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
POLB P06746 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPC1 P48995 1/20 0.34
TRPC3 Q13507 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
STIM2 Q9P246 1/20 0.34
NPY1R P25929 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL17099049 1.00 GAA (0.36) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17048961 1.00 GAA (0.36) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17048921 0.88 MAPT (0.37) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17048919 0.88 MAPT (0.37) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17098721 0.88 MAPT (0.37) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17118067 0.86 TRPC1 (0.37) GAAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL17099245 0.86 KMT2A (0.41) GAAPOLBMAPTKMT2AMEN1
SCHEMBL17099250 0.86 KMT2A (0.41) GAAPOLBMAPTKMT2AMEN1
SCHEMBL17099248 0.86 KMT2A (0.41) GAAPOLBMAPTKMT2AMEN1
SCHEMBL17098295 0.82 MAPT (0.36) GAAPOLBMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA GAA 3413/4885POLB 4102/4885MAPT 3584/4885

“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.