SCHEMBL1467095

SCHEMBL1467095

O=C(O)c1c(F)ccc(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
RPA1 P27694 1/20 0.42
SORT1 Q99523 1/20 0.41
TSHR P16473 3/20 0.40
KMO O15229 1/20 0.40
ALOX15 P16050 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC2A1 P11166 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.38
ADRA2A P08913 1/20 0.38
CLCN2 P51788 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL27890869 0.98 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL31193466 0.86 DPP4 (0.60) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL7820374 0.84 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL24456032 0.84 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL31258574 0.83 CES2 (0.47) ALDH1A1KDM4ETP53TSHRCES2
SCHEMBL365563 0.83 CES2 (0.47) ALDH1A1KDM4ETP53TSHRCES2
SCHEMBL1197627 0.82 ALDH1A1 (0.48) DPP4ALDH1A1RPA1ALOX15CES2
SCHEMBL9694217 0.82 DPP4 (0.40) DPP4ALDH1A1TP53RPA1CES2
SCHEMBL2127072 0.81 DPP4 (0.45) DPP4ALDH1A1KDM4EHSD17B10TP53
SCHEMBL24680171 0.81 DPP4 (0.45) DPP4ALDH1A1KDM4EHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380346-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS, INC. (KR) 2022-12-01 US disclosed
EP-3428161-B1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS INC (KR) 2022-09-07 EP disclosed
US-11230539-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same CRYSTALGENOMICS, INC. (KR) 2022-01-25 US disclosed
US-20210009565-A1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS, INC. (KR) 2021-01-14 US disclosed
US-10604508-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same CRYSTALGENOMICS, INC. (KR) 2020-03-31 US disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
EP-3428161-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Crystalgenomics, Inc. (KR) 2019-01-16 EP disclosed
EP-2940014-B1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CRYSTALGENOMICS INC (KR) 2018-09-26 EP disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
WO-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 WO disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
EP-1712550-A2 Substituted triazole diamine derivatives as kinase inhibitors Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
EP-1355889-B1 SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-06-07 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 WO disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP disclosed
CN-1152853-A Fungicidal compositions based on 3-phenylpyrazole derivatives for treating plant propagation material, novel 3-phenylpyrazole derivatives and their fungicidal use RHONE POULENC AGROCHIMIE (FR) 1997-06-25 CN 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 (8 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 DPP4 1751/4885ALDH1A1 4457/4885KDM4E 824/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 DPP4 1277/4885ALDH1A1 4479/4885KDM4E 801/4885
US-11230539-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same BTK, BRSK2, LCK DPP4 1854/4885ALDH1A1 2483/4885KDM4E 1519/4885
US-10604508-B2 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same BTK, LCK, BRSK2 DPP4 2309/4885ALDH1A1 3104/4885KDM4E 1429/4885
US-20210009565-A1 2,3-DIHYDRO-ISOINDOLE-1-ONE DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME BTK, BRSK2, LCK DPP4 1854/4885ALDH1A1 2483/4885KDM4E 1519/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 DPP4 3829/4885ALDH1A1 1918/4885KDM4E 3911/4885
US-20220380346-A1 2,3-DIHYDRO-ISOINDOLE-1-ON DERIVATIVE AS BTK KINASE SUPPRESSANT, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME BTK, LCK, BRSK2 DPP4 2216/4885ALDH1A1 3265/4885KDM4E 1445/4885
US-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B DPP4 3404/4885ALDH1A1 2370/4885KDM4E 1259/4885

“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.