SCHEMBL3075261

SCHEMBL3075261

Fc1ccc(Br)c(CCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
PKM P14618 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
RIPK1 Q13546 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
GRM2 Q14416 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PLEC Q15149 1/20 0.32
NR3C1 P04150 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL4965370 0.83 DPP4 (0.34) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL20560561 0.82 PKM (0.38) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL29374861 0.79 DPP4 (0.37) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL156831 0.79 DPP4 (0.37) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL31021710 0.79 DPP4 (0.37) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL28056457 0.78 IDO1 (0.40) DPP4PSEN1PSEN2APH1BNCSTN
SCHEMBL5430076 0.77 PKM (0.38) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL4031071 0.77 IDO1 (0.41) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL12151763 0.77 DPP4 (0.36) DPP4PKMPSEN1PSEN2APH1B
SCHEMBL147653 0.77 DPP4 (0.36) DPP4PKMPSEN1PSEN2APH1B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
WO-2013139341-A1 GPR120 RECEPTOR MODULATORS SYDDANSK UNIVERSITET (DK) 2013-09-26 WO disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (4 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 DPP4 2930/4885PKM 4637/4885PSEN1 4258/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 DPP4 133/4885PKM 846/4885PSEN1 2429/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 DPP4 133/4885PKM 846/4885PSEN1 2429/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 DPP4 2930/4885PKM 4637/4885PSEN1 4258/4885

“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.