SCHEMBL4259159

SCHEMBL4259159

C#CC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PTPN1 P18031 4/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KCNN4 O15554 6/20 0.38
KIF11 P52732 1/20 0.37
MAPK1 P28482 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PTPN5 P54829 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
CYP1A2 P05177 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
SCHEMBL28067360 0.75 TSHR (0.46) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL874380 0.74 TSHR (0.50) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL3399235 0.74 TSHR (0.50) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL1538909 0.74 TSHR (0.65) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL8904915 0.72 TSHR (0.48) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL7194334 0.72 TSHR (0.48) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL10804256 0.72 TSHR (0.48) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL2748164 0.72 TSHR (0.42) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL2748167 0.72 TSHR (0.42) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL611603 0.72 TSHR (0.42) TSHRALDH1A1PTPN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (3 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 TSHR 2733/4885ALDH1A1 416/4885PTPN1 3046/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 TSHR 2632/4885ALDH1A1 1358/4885PTPN1 3433/4885
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 TSHR 1435/4885ALDH1A1 1966/4885PTPN1 1997/4885

“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.