SCHEMBL98043

SCHEMBL98043

O=COCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
ALDH1A1 P00352 4/20 0.49
MAOB P27338 5/20 0.44
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
MCL1 Q07820 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
SCN3A Q9NY46 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL11406620 0.84 SRC (0.40) IDO1ALDH1A1LMNAKDM4ENPC1
SCHEMBL323427 0.84 FFAR4 (0.43) IDO1ALDH1A1MAOBTAAR1MMP1
SCHEMBL2096285 0.82 TAAR1 (0.52) IDO1ALDH1A1MAOBPARP15PARP10
SCHEMBL29008173 0.79 IDO1 (0.55) IDO1ALDH1A1MAOBPARP15PARP10
SCHEMBL27860859 0.78 TSHR (0.43) IDO1ALDH1A1MAOBTAAR1L3MBTL1
SCHEMBL5537733 0.77 MMP1 (0.40) IDO1ALDH1A1TAAR1MMP1MMP2
SCHEMBL5984182 0.77 SRC (0.42) IDO1KDM4EL3MBTL1ATM
SCHEMBL6232812 0.76 IDO1 (0.52) IDO1ALDH1A1MAOBPARP15PARP10
SCHEMBL15544922 0.76 MMP2 (0.42) IDO1ALDH1A1MMP1MMP2MMP9
SCHEMBL96253 0.76 IDO1 (0.58) IDO1ALDH1A1MAOBKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2018030840-A1 COMPOSITION FOR HARDENING SOFT TISSUE 가톨릭대학교 산학협력단 2018-02-15 WO disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO disclosed
EP-0331394-B1 PROCESS FOR PREPARING 2 BETA-SUBSTITUTED-METHYLPENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-08-04 EP disclosed
CN-1020061-C Insecticidal and acaricidal agents containing thiadiazines and process for their preparation MITSUI TOATSU CHEMICALS (JP) 1993-03-17 CN disclosed
EP-0272016-B1 2BETA-SUBSTITUTED-METHYLPENICILLANIC ACID DERIVATIVES, AND SALTS AND ESTERS THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-08 EP disclosed
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 EP disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
CN-1039242-A The preparation method of novel thiadiazine and the sterilant and the miticide that contain this type of thiadiazine MITSUI TOATSU CHEMICALS (JP) 1990-01-31 CN disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 IDO1 1651/4885ALDH1A1 2277/4885MAOB 794/4885
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 IDO1 764/4885ALDH1A1 1392/4885MAOB 742/4885

“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.