Sugi Predict

Sugi Predict / Compounds / SCHEMBL6663680

SCHEMBL6663680

SCHEMBL6663680

COC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.65
▸ NOS3 P29474 3/20 0.65
▸ NOS1 P29475 3/20 0.65
▸ CA12 O43570 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ ATM Q13315 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL18472617 1.00 NOS2 (0.65) NOS2NOS3NOS1CA12CA7
SCHEMBL6663677 1.00 NOS2 (0.65) NOS2NOS3NOS1CA12CA7
SCHEMBL7221067 1.00 NOS2 (0.65) NOS2NOS3NOS1CA12CA7
SCHEMBL27478679 0.88 TACR1 (0.53) NOS2NOS3NOS1CA12CA7
SCHEMBL27573321 0.88 TACR1 (0.53) NOS2NOS3NOS1CA12CA7
SCHEMBL6371364 0.88 TACR1 (0.53) NOS2NOS3NOS1CA12CA7
SCHEMBL16879114 0.88 NOS2 (0.65) NOS2NOS3NOS1CA12CA7
SCHEMBL16879113 0.88 NOS2 (0.65) NOS2NOS3NOS1CA12CA7
SCHEMBL315117 0.86 NPSR1 (0.61) KMT2AATMTSHRTACR1ALDH1A1
SCHEMBL17176127 0.86 ATM (0.63) NOS2NOS3NOS1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110841720-B Graphene adsorption multi-component chiral catalyst and application thereof in asymmetric hydrogenation 河南师范大学 2022-11-18 — — CN disclosed
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 — — US disclosed
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 — — US disclosed
EP-3426654-B1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION HARVARD COLLEGE (US) 2021-10-20 — — EP disclosed
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-04 — — US disclosed
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-04 — — US disclosed
EP-3426654-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION President and Fellows of Harvard College (US) 2019-01-16 — — EP disclosed
WO-2017156265-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-14 — — WO disclosed
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-02-09 — — US disclosed
EP-1030854-B1 CATALYSTS FOR ASYMMETRIC SYNTHESIS CONTAINING RIGID CHIRAL LIGANDS PENN STATE RES FOUND (US) 2004-08-18 — — EP disclosed
WO-1999024443-A2 CATALYSTS FOR ASYMMETRIC SYNTHESIS CONTAINING RIGID CHIRAL LIGANDS THE PENN STATE RESEARCH FOUNDATION (US) 1999-05-20 — — WO disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
EP-0858999-A1 Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-08-19 — — EP disclosed
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 — — EP disclosed
EP-0765873-A1 Cyclic ureas and analogues useful as retroviral protease inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-02 — — EP disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 — — US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 — — EP disclosed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 — — WO disclosed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 — — EP disclosed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 — — 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 (3 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-11179710-B2 Direct palladium-catalyzed aromatic fluorination KRAS, NRAS, DDT NOS2 3858/4885NOS3 4203/4885NOS1 3972/4885
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS SOD1, TPO, FLI1 NOS2 3258/4885NOS3 3497/4885NOS1 3399/4885
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION KRAS, NRAS, DDT NOS2 3858/4885NOS3 4203/4885NOS1 3972/4885

“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.