SCHEMBL17097934

SCHEMBL17097934

CCOC(=O)[C@H]1CC[C@H](n2ncc(C(=O)N(CC(=O)c3c(Cl)cc(S(C)(=O)=O)cc3Cl)Cc3cc(F)cc(F)c3)c2C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 3/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
HSD11B1 P28845 1/20 0.32
LMNA P02545 3/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
VCAM1 P19320 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL17097937 1.00 TSHR (0.35) TSHRMAPK1ALDH1A1POLBTP53
SCHEMBL17048899 0.91
SCHEMBL17097544 0.91
SCHEMBL17099145 0.90 HSD11B1 (0.33) TSHRMAPK1POLBTP53TDP1
SCHEMBL17098505 0.90 HSD11B1 (0.33) TSHRMAPK1POLBTP53TDP1
SCHEMBL17098507 0.90 HSD11B1 (0.33) TSHRMAPK1POLBTP53TDP1
SCHEMBL17099143 0.90 HSD11B1 (0.33) TSHRMAPK1POLBTP53TDP1
SCHEMBL17097642 0.87 POLB (0.34) TSHRMAPK1ALDH1A1POLBTP53
SCHEMBL17097638 0.87 POLB (0.34) TSHRMAPK1ALDH1A1POLBTP53
SCHEMBL17098995 0.86 CYP2C19 (0.34) TSHRMAPK1ALDH1A1POLBTP53

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
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US 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
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 TSHR 873/4885MAPK1 2696/4885ALDH1A1 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.