SCHEMBL17258741

SCHEMBL17258741

CCS(=O)(=O)N(C)[CH]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RELA Q04206 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 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
SCHEMBL7412345 0.78 SMN1; SMN2 (0.38) TDP1NPC1L3MBTL1RELALMNA
SCHEMBL5136337 0.70 L3MBTL1 (0.41) NPC1L3MBTL1RELAGRM5LMNA
SCHEMBL815790 0.68 TP53 (0.36) NPC1L3MBTL1RELAGRM5LMNA
SCHEMBL13762630 0.68 CA12 (0.50) PSIP1TDP1CA12CA2CA9
SCHEMBL3269032 0.68 RELA (0.46) L3MBTL1RELAGRM5LMNAALDH1A1
SCHEMBL169417 0.68 RELA (0.46) TDP1L3MBTL1RELAGRM5LMNA
SCHEMBL3269377 0.67 L3MBTL1 (0.42) NPC1L3MBTL1RELAGRM5LMNA
SCHEMBL2963738 0.67 L3MBTL1 (0.42) NPC1L3MBTL1RELAGRM5LMNA
SCHEMBL28347318 0.67 PSIP1 (0.41) PSIP1TDP1L3MBTL1CA12CA2
SCHEMBL7220051 0.66 ALDH1A1 (0.46) TDP1NPC1L3MBTL1RELAGRM5

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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 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 (3 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN PSIP1 421/4885TDP1 3139/4885NPC1 982/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 PSIP1 1423/4885TDP1 3163/4885NPC1 457/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 PSIP1 1423/4885TDP1 3163/4885NPC1 457/4885

“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.