SCHEMBL21962071

SCHEMBL21962071

Cc1cc(C(F)(F)F)cc(O)c1CC(=O)N=S(N)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.38
HSD17B2 P37059 1/20 0.37
HSD11B1 P28845 2/20 0.36
KAT6A Q92794 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PPARG P37231 1/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL21962052 0.85 BACE1 (0.41) ALDH1A1KDM4EMAPTHSD11B1KAT6A
SCHEMBL22014900 0.85 HTR2A (0.36) HSD17B2CA12CA1CA2CA9
SCHEMBL22014434 0.72 AGBL2 (0.40) RXRARXRBRXRGP2RX1TACR1
SCHEMBL20698739 0.70 PTGDR2 (0.33) ALDH1A1MAPTHSD11B1KAT6APOLB
SCHEMBL23569250 0.68 CA1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
SCHEMBL20698735 0.63 NLRP3 (0.35) HSD11B1POLB
SCHEMBL23692319 0.63 NLRP3 (0.35) HSD11B1POLB
SCHEMBL23692255 0.63 NLRP3 (0.35) HSD11B1POLB
SCHEMBL28856911 0.63 CYTH2 (0.51) ALDH1A1HSD17B2KAT6APPARGMEN1
SCHEMBL12806638 0.58 PTGS1 (0.38) MAPTMEN1KMT2AP2RX1

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2123/4885KDM4E 4478/4885MAPT 2169/4885

“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.