SCHEMBL4568018

SCHEMBL4568018

Cc1ccc(C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.55
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 2/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL13636106 0.87 CYP3A4 (0.45) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL31470226 0.87 CYP3A4 (0.45) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL20865561 0.87 ALDH1A1 (0.56) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL12330707 0.87 ALDH1A1 (0.55) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL8297312 0.86 SMN1; SMN2 (0.63) LMNAPOLBHPGDALDH1A1HDAC3
SCHEMBL25736547 0.86 ALDH1A1 (0.44) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL29991534 0.85 AAK1 (0.49) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL4568010 0.85 LMNA (0.56) LMNANPSR1POLBALDH1A1GAA
SCHEMBL18511360 0.85 LMNA (0.43) NLRP3LMNANPSR1CYP1A2CYP2C19
SCHEMBL5732332 0.85 HPGD (0.46) NLRP3LMNANPSR1CYP1A2CYP2C19

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
WO-2022126095-A1 CONSUMER PRODUCTS COMPRISING CROSS-LINKED CARBON NANOTUBE SENSORS AND SYSTEMS AND METHODS COMPRISING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2022-06-16 WO disclosed
WO-2022126094-A1 CONSUMER PRODUCTS COMPRISING CROSS-LINKED CARBON NANOTUBE SENSORS AND SYSTEMS AND METHODS COMPRISING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2022-06-16 WO disclosed
US-20220178896-A1 CONSUMER PRODUCTS COMPRISING CROSS-LINKED CARBON NANOTUBE SENSORS AND SYSTEMS AND METHODS COMPRISING THE SAME THE PROCTER & GAMBLE COMPANY 2022-06-09 US disclosed
US-9388166-B2 6-aminoindole derivatives as TRP channel antagonists HOFFMAN-LA ROCHE INC. (US) 2016-07-12 US disclosed
US-20150218133-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-08-06 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
CN-1068588-C 1H-indole-3-acetamide splA2 inhibitors LILLY CO ELI (US) 2001-07-18 CN disclosed
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 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 (2 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R NLRP3 1706/4885LMNA 4472/4885NPSR1 27/4885
US-20150218133-A1 6-AMINOINDOLE DERIVATIVES AS TRP CHANNEL ANTAGONISTS TRPC6, TRPC5, HTR6 NLRP3 924/4885LMNA 3654/4885NPSR1 178/4885

“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.