SCHEMBL4875595

SCHEMBL4875595

NCC1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL16037755 0.97 NCF1 (0.42) NCF1PLGPLATLMNAKDM4E
SCHEMBL351595 0.84
Hydrochloric Acid SCHEMBL2829410 0.82 ALDH1A1 (0.48) NCF1PLGPLATLMNAKDM4E
SCHEMBL12874229 0.79 NCF1 (0.41) NCF1PLGPLATLMNACYP2D6
SCHEMBL16977515 0.79 KDM4E (0.36) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL18669238 0.77 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL17669489 0.74 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL3509974 0.72 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL16179859 0.72 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL8069745 0.72 ALDH1A1 (0.39) KDM4EALDH1A1

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 US disclosed
WO-2024121779-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
CN-116209658-A Inhibitors of RHO-associated coiled coil kinase 安吉昂生物医药公司 2023-06-02 CN disclosed
EP-4185579-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE Angion Biomedica Corp. (US) 2023-05-31 EP disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 US disclosed
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 US disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2012066070-A1 3-(AMINOARYL)-PYRIDINE COMPOUNDS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 US disclosed
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 US disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 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 (7 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN NCF1 1037/4885PLG 3717/4885PLAT 1980/4885
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 NCF1 3886/4885PLG 4164/4885PLAT 4282/4885
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 NCF1 1175/4885PLG 2637/4885PLAT 3922/4885
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE NCF1 3667/4885PLG 45/4885PLAT 88/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH NCF1 1728/4885PLG 4050/4885PLAT 3210/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE NCF1 805/4885PLG 4392/4885PLAT 3396/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA NCF1 521/4885PLG 3436/4885PLAT 3104/4885

“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.