SCHEMBL3780772

SCHEMBL3780772

CO/C=C(/C(=O)O)C(=O)c1cc(I)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTPN1 P18031 2/20 0.35
MAP2K1 Q02750 10/20 0.35
MAP2K2 P36507 4/20 0.35
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
AR P10275 1/20 0.32
AKR1B1 P15121 1/20 0.30

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
SCHEMBL3780775 1.00 CES2 (0.38) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL1429996 0.80 CES2 (0.38) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL1429997 0.80 CES2 (0.38) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL3768874 0.72 MAPT (0.43) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL3768873 0.72 MAPT (0.43) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL130575 0.72 PTPN1 (0.48) PTPN1MAP2K1MAP2K2
SCHEMBL13774363 0.71 CES2 (0.38) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL78403 0.70 MAP2K1 (0.53) CES2CES1PTPN1MAP2K1MAP2K2
SCHEMBL10518508 0.70 CES2 (0.51) CES2CES1
SCHEMBL12961518 0.69 MEN1 (0.41) CES2CES1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 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 (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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 CES2 866/4885CES1 1799/4885PTPN1 4063/4885

“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.