SCHEMBL17097522

SCHEMBL17097522

CCOC(=O)[C@H]1CC[C@H](n2ncc(C(=O)N(CC(=O)c3c(Cl)cccc3OC)Cc3cc(F)cc(F)c3)c2C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NR3C1 P04150 2/20 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
SCHEMBL17097524 1.00 POLB (0.35) POLBTP53TDP1HTTEGFR
SCHEMBL17099185 0.96 EGFR (0.36) POLBTP53TDP1EGFRLMNA
SCHEMBL17099186 0.96 EGFR (0.36) POLBTP53TDP1EGFRLMNA
SCHEMBL17097627 0.93 EGFR (0.34) POLBTP53TDP1HTTEGFR
SCHEMBL17097625 0.93 EGFR (0.34) POLBTP53TDP1HTTEGFR
SCHEMBL17097638 0.92 POLB (0.34) POLBTP53TDP1KDM4ETSHR
SCHEMBL17097642 0.92 POLB (0.34) POLBTP53TDP1KDM4ETSHR
SCHEMBL17098141 0.92 ALDH1A1 (0.35) TDP1HTTEGFRLMNAKDM4E
SCHEMBL17098144 0.92 ALDH1A1 (0.35) TDP1HTTEGFRLMNAKDM4E
SCHEMBL17099181 0.91 HSD11B1 (0.35) POLBTP53TDP1KDM4ETSHR

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 POLB 4102/4885TP53 1806/4885TDP1 4296/4885

“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.