Sugi Predict

Sugi Predict / Compounds / SCHEMBL22828

SCHEMBL22828

SCHEMBL22828

COc1ccc(B(O)O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.42
▸ MGLL Q99685 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ S1PR1 P21453 1/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL29830169 1.00 ENPP2 (0.42) ENPP2MGLLCA1CA2S1PR1
Phenylboronic Acid SCHEMBL21410009 0.92 ENPP2 (0.44) ENPP2MGLLCA1CA2ABCB1
SCHEMBL7274280 0.86 S1PR1 (0.38) S1PR1HTR2AHTR2CALDH1A1HPGD
SCHEMBL29822068 0.86 ENPP2 (0.42) ENPP2MGLLCA1CA2HTR2A
SCHEMBL16654240 0.86 ENPP2 (0.42) ENPP2MGLLCA1CA2HTR2A
SCHEMBL5827712 0.84 LMNA (0.47) ENPP2CA1CA2HTR2AALDH1A1
SCHEMBL3113375 0.81 RXRA (0.50) ENPP2MGLLS1PR1HTR2ACTSS
SCHEMBL15194036 0.81 RXRA (0.49) MGLLS1PR1CTSSCTSK
SCHEMBL29955074 0.81 RXRA (0.49) MGLLS1PR1CTSSCTSK
SCHEMBL29955864 0.81 RXRA (0.50) ENPP2MGLLS1PR1HTR2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663242-A1 TARGETING THE ENERGY COUPLING FACTOR (ECF) TRANSPORTERS AS NOVEL ANTIMICROBIAL TARGET Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-12-17 — — EP disclosed
US-12383548-B2 Antibacterial quinolines Tecnimede—Sociedade Técnico-Medicinal, SA (PT) 2025-08-12 — — US disclosed
WO-2025149586-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF FATTY LIVER DISEASE SCANDIEDGE THERAPEUTICS AB (SE) 2025-07-17 — — WO disclosed
EP-4585216-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF FATTY LIVER DISEASE ScandiEdge Therapeutics AB (SE) 2025-07-16 — — EP disclosed
US-20240360131-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 — — US disclosed
US-12065437-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-20 — — US disclosed
CN-114867528-B Antibacterial quinolines 社会医疗技术员技术股份公司 2024-03-19 — — CN disclosed
EP-4081304-B1 ANTIBACTERIAL QUINOLINES TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2024-03-06 — — EP disclosed
US-20230106913-A1 Antibacterial quinolines TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-04-06 — — US disclosed
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 — — CN disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 — — US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 — — WO disclosed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 — — CN disclosed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 — — EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 — — US disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 — — CN disclosed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 — — EP disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 — — CN disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 — — EP disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 — — 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-12383548-B2 Antibacterial quinolines NQO2, RABGGTB, NQO1 ENPP2 2036/4885MGLL 2082/4885CA1 4877/4885
US-20230106913-A1 Antibacterial quinolines NQO2, RABGGTB, NQO1 ENPP2 2036/4885MGLL 2082/4885CA1 4877/4885
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF ENPP2 842/4885MGLL 3636/4885CA1 2741/4885
US-12065437-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ENPP2 2550/4885MGLL 2095/4885CA1 4716/4885
US-20240360131-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ENPP2 2550/4885MGLL 2095/4885CA1 4716/4885

“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.