SCHEMBL4498725

SCHEMBL4498725

F[C@@H](CCl)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TACR1 P25103 5/20 0.47
SLC1A1 P43005 1/20 0.41
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4498730 1.00 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL19713277 0.82 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL3518858 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL19726048 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL29230470 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL18630780 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL17789132 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL3522139 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL3518860 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL10463016 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 TSHR 1194/4885CA1 2953/4885CA2 1497/4885

“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.