SCHEMBL7744978

SCHEMBL7744978

O=C(F)c1cc(F)c(F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
HPGD P15428 6/20 0.52
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL8508742 0.88 POLB (0.43) POLBAPEX1HPGDMAPTTSHR
SCHEMBL8507770 0.84 POLB (0.43) POLBAPEX1HPGDMAPTTSHR
SCHEMBL8055152 0.83 POLB (0.55) POLBAPEX1HPGDMAPTTSHR
SCHEMBL10960763 0.82 CES2 (0.40) POLBAPEX1HPGDMAPTTSHR
SCHEMBL32668944 0.81 KEAP1 (0.55) POLBAPEX1HPGDMAPTTSHR
SCHEMBL979056 0.81 KEAP1 (0.55) POLBAPEX1HPGDMAPTTSHR
SCHEMBL3820327 0.81 POLB (0.53) POLBAPEX1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL9488278 0.79 KEAP1 (0.53) POLBAPEX1HPGDMAPTTSHR
SCHEMBL3333144 0.79 POLB (0.52) POLBAPEX1HPGDMAPTTSHR
SCHEMBL3621616 0.79 POLB (0.56) POLBAPEX1HPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859298-A REACTING 2,4-DICHLORO-5-FLUORO-BENZOYL CHLORIDE WITH POTASSIUM FLUORIDE IN AN APROTIC SOLVENT; DISTILLATION BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 US claimed
EP-0673912-B1 Process for preparing 2-halogeno-4,5-difluoro-benzofluorides BAYER AG (DE) 1998-12-23 EP claimed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US claimed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP claimed
JP-8291109-A None JP disclosed
US-11174266-B2 Efficient process for the preparation of sitagliptin F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2021-11-16 US disclosed
US-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2021-03-04 US disclosed
WO-2019158285-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN. F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2019-08-22 WO disclosed
EP-3524605-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-14 EP disclosed
EP-0781757-B1 Process for the preparation of fluorinated benzoic acids ABBOTT LAB (US) 2001-01-03 EP disclosed
US-5859298-A REACTING 2,4-DICHLORO-5-FLUORO-BENZOYL CHLORIDE WITH POTASSIUM FLUORIDE IN AN APROTIC SOLVENT; DISTILLATION BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
EP-0673912-B1 Process for preparing 2-halogeno-4,5-difluoro-benzofluorides BAYER AG (DE) 1998-12-23 EP disclosed
EP-0303291-B1 Fluorinated benzoyl compounds ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
EP-0610384-A4 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1995-01-25 EP disclosed
EP-0610384-A1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1994-08-17 EP disclosed
WO-1993009077-A2 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LABORATORIES (US) 1993-05-13 WO disclosed
US-5093515-A Intermediate for quinolone carboxylic acid bactericide ASAHI GLASS COMPANY LTD. (JP) 1992-03-03 US disclosed
US-5068449-A FLUORINATED BENZOYL COMPOUNDS ASAHI GLASS COMPANY, LTD. (JP) 1991-11-26 US disclosed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 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 (2 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-20210061808-A1 NEW EFFICIENT PROCESS FOR THE PREPARATION OF SITAGLIPTIN DPP4, DPP9, DPP7 POLB 3623/4885APEX1 4120/4885HPGD 4157/4885
US-11174266-B2 Efficient process for the preparation of sitagliptin DPP4, DPP9, DPP7 POLB 3595/4885APEX1 4122/4885HPGD 4036/4885

“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.