SCHEMBL129653

SCHEMBL129653

Cc1cc(C(C)(C)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
DAO P14920 1/20 0.40
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10153919 0.80 DAO (0.38) CHRM3DAOHPGD
SCHEMBL19187342 0.78 DAO (0.37) CHRM3DAO
SCHEMBL24724927 0.76 DAO (0.35) CHRM3DAO
SCHEMBL9414397 0.76 TYR (0.30)
SCHEMBL131245 0.76 MLYCD (0.43) CHRM3DAOMAPK1
SCHEMBL12615412 0.74 ALDH1A1 (0.32) HPGD
SCHEMBL20933012 0.74 MAPK14 (0.32)
SCHEMBL129652 0.74
SCHEMBL128214 0.74 DAO (0.48) CHRM3DAOHPGDMAPK1
SCHEMBL127047 0.73 DAO (0.37) CHRM3DAO

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-12-08 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US disclosed
EP-3407877-B1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RES & DEV (FR) 2020-03-04 EP disclosed
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-06-27 US disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2017129897-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-08-03 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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 (5 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CHRM3 4211/4885DAO 3826/4885TNKS 458/4885
US-10857123-B2 NLRP3 inhibitors for the treatment of inflammatory skin disorders NLRP3, NLRP1, PYCARD CHRM3 4816/4885DAO 2609/4885TNKS 807/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 CHRM3 4043/4885DAO 3886/4885TNKS 556/4885
US-20190192478-A1 NLRP3 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS NLRP3, NLRP1, PYCARD CHRM3 4816/4885DAO 2609/4885TNKS 807/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CHRM3 182/4885DAO 388/4885TNKS 3051/4885

“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.