SCHEMBL21963232

SCHEMBL21963232

Cc1c(C(F)(F)F)nc2c(c1NC(=O)O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ACHE P22303 2/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22021558 0.90 USP2 (0.48) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL22020378 0.89 USP2 (0.47) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL22020099 0.82 SMN1; SMN2 (0.41) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL21963408 0.81 NLRP3 (0.52) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL30162495 0.81 GAA (0.40) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL22021484 0.81 GAA (0.40) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL22265629 0.80 USP2 (0.49) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL20681381 0.79 GAA (0.61) USP2GAACYP1A2NPSR1KDM4E
SCHEMBL21963186 0.78 LMNA (0.35) CYP1A2ACHETP53
SCHEMBL22019708 0.76 SMN1; SMN2 (0.46) USP2CYP1A2KDM4EMAPTMEN1

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
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 USP2 4117/4885GAA 1444/4885CYP1A2 1790/4885

“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.