SCHEMBL5199897

SCHEMBL5199897

Cc1cc(C(C)O)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
PNMT P11086 1/20 0.36
CXCR2 P25025 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MAPT P10636 1/20 0.34
PTPN5 P54829 1/20 0.34
NOTUM Q6P988 1/20 0.34
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
RAET1L Q5VY80 1/20 0.34
SOS1 Q07889 1/20 0.34
CES2 O00748 2/20 0.33
TACR1 P25103 1/20 0.33
IDH1 O75874 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL15216810 1.00 PDE2A (0.41) PDE2ARAPGEF4PGK1PGK2PNMT
SCHEMBL12118738 1.00 PDE2A (0.41) PDE2ARAPGEF4PGK1PGK2PNMT
SCHEMBL435108 0.87 PDE2A (0.46) PDE2APNMTMAPTPTPN5CES2
SCHEMBL99424 0.87 PDE2A (0.46) PDE2APNMTMAPTPTPN5CES2
SCHEMBL265045 0.87 PDE2A (0.46) PDE2APNMTMAPTPTPN5CES2
SCHEMBL9386794 0.83 PDE2A (0.43) PDE2APNMTMAPTPTPN5CES2
SCHEMBL6124147 0.83 RAPGEF4 (0.40) PDE2ARAPGEF4PGK1PGK2CXCR2
SCHEMBL10299204 0.83 RAPGEF4 (0.40) PDE2ARAPGEF4PGK1PGK2CXCR2
SCHEMBL14329355 0.82 RAPGEF4 (0.37) PDE2ARAPGEF4PGK1PGK2PNMT
SCHEMBL15448858 0.82 KDM4E (0.40) PDE2ARAPGEF4PGK1PGK2PNMT

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
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 US disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 US 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 (5 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-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK PDE2A 4036/4885RAPGEF4 655/4885PGK1 1017/4885
US-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 PDE2A 3683/4885RAPGEF4 1494/4885PGK1 1558/4885
US-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT PDE2A 1298/4885RAPGEF4 2492/4885PGK1 4432/4885
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB PDE2A 2498/4885RAPGEF4 1849/4885PGK1 753/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S PDE2A 4609/4885RAPGEF4 1526/4885PGK1 1927/4885

“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.