SCHEMBL5198

SCHEMBL5198

COc1c(F)cccc1B(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.47
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
KMT2A Q03164 1/20 0.39
KRAS P01116 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NFE2L2 Q16236 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 2/20 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
SCHEMBL475141 0.79 ALDH1A1 (0.46) KMT2AKRASCA1CA2NFE2L2
SCHEMBL29950828 0.79 SCN9A (0.36) ENPP2KMT2ASLC6A2SLC6A4ALDH1A1
SCHEMBL29956129 0.79 L3MBTL1 (0.40) ENPP2KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31546303 0.79 ENPP2 (0.34) ENPP2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3984741 0.79 L3MBTL1 (0.40) ENPP2KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29458390 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL2944532 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL22690326 0.77 CA1 (0.55) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL263451 0.77 ENPP2 (0.65) ENPP2ORAI1ORAI2ORAI3KMT2A
SCHEMBL29401885 0.77 ENPP2 (0.65) ENPP2ORAI1ORAI2ORAI3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515534-B Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-11-05 CN claimed
CN-118515534-A Multi-tooth ligand, multi-tooth ligand metal catalyst, and preparation method and application thereof 华南理工大学 2024-08-20 CN claimed
CN-103864750-A Derivative of N-biphenyl dichloroacetamide as well as preparation method and applications thereof UNIV TSINGHUA 2014-06-18 CN claimed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
EP-4699607-A2 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2026-02-25 EP disclosed
US-20250353836-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2025-11-20 US disclosed
EP-4347031-B1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2025-10-29 EP disclosed
US-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2025-10-23 US disclosed
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 US disclosed
EP-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (6 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-20250325552-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLH ENPP2 3208/4885ORAI1 4844/4885ORAI2 4777/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 ENPP2 1072/4885ORAI1 1517/4885ORAI2 370/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R ENPP2 2380/4885ORAI1 733/4885ORAI2 1639/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR ENPP2 1554/4885ORAI1 4690/4885ORAI2 4670/4885
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity PRKAG1, PRKAG3, PRKAG2 ENPP2 2926/4885ORAI1 3670/4885ORAI2 4467/4885
US-20250353836-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN2B ENPP2 520/4885ORAI1 121/4885ORAI2 177/4885

“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.