SCHEMBL4966993

SCHEMBL4966993

COC(=O)c1cc(F)cc(COS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL31385471 1.00 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL17570969 0.89 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL31385500 0.86 MRGPRX4 (0.63) MRGPRX4
SCHEMBL17615247 0.85 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL23017630 0.82 NOTUM (0.47) CA12CA1CA2CA7CA9
SCHEMBL4402201 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL7019854 0.82 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL31385499 0.82 NOTUM (0.47) CA12CA1CA2CA7CA9
SCHEMBL20868558 0.81 IDO1 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL19140032 0.80 PSEN1 (0.41) MRGPRX4MEN1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS CA12 3902/4885CA1 3251/4885CA2 1833/4885

“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.