SCHEMBL17097953

SCHEMBL17097953

CCOC(=O)CC1(C)CCC(n2ncc(C(=O)OCc3ccccc3)c2C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
HPGD P15428 7/20 0.40
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.37
TRPC1 P48995 1/20 0.37
TRPC3 Q13507 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
STIM2 Q9P246 1/20 0.37
PRMT5 O14744 1/20 0.37
TSHR P16473 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17097834 0.88 KDM4E (0.41) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17098295 0.86 MAPT (0.36) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17110271 0.86 MAPT (0.36) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17098293 0.86 MAPT (0.36) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17099248 0.85 KMT2A (0.41) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17099245 0.85 KMT2A (0.41) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17099250 0.85 KMT2A (0.41) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17117916 0.85 TRPC1 (0.36) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17098883 0.83 KDM4E (0.45) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL17098886 0.83 KDM4E (0.45) KDM4EHPGDALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
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 KDM4E 986/4885HPGD 916/4885ALDH1A1 923/4885

“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.