SCHEMBL17097548

SCHEMBL17097548

CCOC(=O)C1CCC(n2ncc(C(=O)N(Cc3cc(F)cc(F)c3)CC(O)c3c(Cl)cccc3[N+](=O)[O-])c2C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.37
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
CTSB P07858 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL17097545 1.00 VCAM1 (0.37) VCAM1POLBTDP1TP53MAPT
SCHEMBL17098282 0.89 POLB (0.34) POLBTDP1TP53MAPTKMT2A
SCHEMBL17098281 0.89 POLB (0.34) POLBTDP1TP53MAPTKMT2A
SCHEMBL17098093 0.89 HSD11B1 (0.33) POLBTDP1TP53ALDH1A1KMT2A
SCHEMBL17098095 0.89 HSD11B1 (0.33) POLBTDP1TP53ALDH1A1KMT2A
SCHEMBL17117924 0.88 NR1H4 (0.34) POLBTDP1TP53MAPTALDH1A1
SCHEMBL17098811 0.87 VCAM1 (0.37) VCAM1POLBTDP1TP53MAPT
SCHEMBL17098813 0.87 VCAM1 (0.37) VCAM1POLBTDP1TP53MAPT
SCHEMBL17099285 0.87 EGFR (0.35) POLBTDP1TP53MAPTALDH1A1
SCHEMBL17099286 0.87 EGFR (0.35) POLBTDP1TP53MAPTALDH1A1

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 VCAM1 2625/4885POLB 4102/4885TDP1 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.