SCHEMBL104898

SCHEMBL104898

CC(C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
S1PR1 P21453 1/20 0.44
ENPP2 Q13822 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MDM4 O15151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 1/20 0.42
HDAC4 P56524 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8240673 0.88 CLK4 (0.49) CLK4CTSSCTSK
SCHEMBL16959032 0.83 GLA (0.44) GLAS1PR1ENPP2TSHRADRA1D
SCHEMBL214901 0.83 ENPP2 (0.46) GLAS1PR1ENPP2ADRA1DADRA1A
SCHEMBL320196 0.83 ENPP2 (0.46) GLAS1PR1ENPP2ADRA1DADRA1A
SCHEMBL1719895 0.83 GLA (0.44) GLAS1PR1ENPP2ALDH1A1TSHR
SCHEMBL23056923 0.83 GLA (0.44) GLAS1PR1ENPP2TSHRADRA1D
SCHEMBL214439 0.83 S1PR1 (0.46) GLAS1PR1ENPP2ADRA1DADRA1A
SCHEMBL4095529 0.83 ENPP2 (0.46) GLAS1PR1ENPP2ADRA1DADRA1A
SCHEMBL22435570 0.83 GLA (0.44) GLAS1PR1ENPP2TSHRADRA1D
SCHEMBL6706801 0.83 S1PR1 (0.46) GLAS1PR1ENPP2ADRA1DADRA1A

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 1057 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283974-A1 DEUTERATED AMMONIA PREPARATION METHOD AND DEUTERATION REACTION INVOLVING SAME AS DEUTERIUM SOURCE 苏州大学 2023-01-19 WO claimed
CN-113526526-A Preparation method of deuterated ammonia and deuterated reaction taking deuterated ammonia as deuterium source to participate 苏州大学 2021-10-22 CN claimed
EP-4559918-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2025-05-28 EP disclosed
EP-3673906-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2025-05-14 EP disclosed
CN-115057872-B Substituted heterocyclo-cyclic compounds, preparation and pharmaceutical use thereof 劲方医药科技(上海)股份有限公司 2025-03-18 CN disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function BRISTOL- MYERS SQUIBB COMPANY 2005-11-03 US disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
WO-2003101382-A2 COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR MERCK & CO., INC. (US) 2003-12-11 WO disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
US-3980660-A ANTIAUERGENS, ANAPHYLACTIC THE UPJOHN COMPANY (US) 1976-09-14 US disclosed
US-3972911-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1976-08-03 US 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-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function CACNA1F, CACNA1A, CACNA1D GLA 3796/4885S1PR1 1998/4885ENPP2 3698/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GLA 2539/4885S1PR1 1109/4885ENPP2 683/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 GLA 1943/4885S1PR1 302/4885ENPP2 653/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 GLA 448/4885S1PR1 2418/4885ENPP2 877/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 GLA 548/4885S1PR1 4777/4885ENPP2 1730/4885

“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.