SCHEMBL543468

SCHEMBL543468

[CH2]c1cccc(C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSD11B1 P28845 5/20 0.37
P2RX7 Q99572 1/20 0.36
CTSS P25774 1/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
AXL P30530 1/20 0.33
KIF11 P52732 1/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPL P40238 1/20 0.33
CES1 P23141 1/20 0.32

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
SCHEMBL6630838 0.83 TAS2R14 (0.46) TAS2R14NOTUMHSD11B1P2RX7CTSS
SCHEMBL16955229 0.79 CA2 (0.46) ALDH1A1KIF11POLBTDP1SMN1; SMN2
SCHEMBL30867018 0.76 TRPA1 (0.48) TAS2R14NOTUMHSD11B1P2RX7CTSS
SCHEMBL3821590 0.76 TRPA1 (0.48) TAS2R14NOTUMHSD11B1P2RX7CTSS
SCHEMBL67468 0.75 ALDH1A1 (0.43) NOTUMHSD11B1ALDH1A1L3MBTL1KIF11
SCHEMBL2036638 0.74 HSD11B1 (0.40) HSD11B1P2RX7ALDH1A1L3MBTL1AXL
SCHEMBL476648 0.74 MPL (0.40) NOTUMHSD11B1P2RX7CTSSALDH1A1
SCHEMBL11955140 0.74 CA2 (0.46) TAS2R14NOTUMHSD11B1P2RX7CTSS
SCHEMBL173020 0.74 HSD11B1 (0.45) TAS2R14NOTUMHSD11B1P2RX7CTSS
SCHEMBL942703 0.74 P2RX7 (0.41) TAS2R14NOTUMHSD11B1P2RX7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP claimed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US claimed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP claimed
CN-102639495-A Pyrrolidine GPR40 Modulators BRISTOL MYERS SQUIBB CO 2012-08-15 CN claimed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO claimed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
CN-110577563-B Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2020-09-04 CN disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
CN-110577563-A Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs 山东师范大学 2019-12-17 CN disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 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 (1 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-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 TAS2R14 930/4885NOTUM 3459/4885HSD11B1 770/4885

“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.