SCHEMBL3768874

SCHEMBL3768874

CN(C)CCNC=C(C(=O)O)C(=O)c1cc(I)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
ACKR3 P25106 1/20 0.35
MAP2K1 Q02750 6/20 0.32
MAP2K2 P36507 4/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
PTPRE P23469 1/20 0.32
PTPN6 P29350 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 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
SCHEMBL3768873 1.00 MAPT (0.43) MAPTALOX12ACKR3MAP2K1MAP2K2
SCHEMBL13774398 0.87 MAPT (0.40) MAPTALOX12ACKR3MAP2K1MAP2K2
SCHEMBL4144510 0.87 MAPT (0.40) MAPTALOX12ACKR3MAP2K1MAP2K2
SCHEMBL4144513 0.87 MAPT (0.40) MAPTALOX12ACKR3MAP2K1MAP2K2
SCHEMBL1429997 0.77 CES2 (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL1429996 0.77 CES2 (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL3780772 0.72 CES2 (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL3780775 0.72 CES2 (0.38) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL6420342 0.71 MAP2K2 (0.35) MAP2K1MAP2K2CES2CES1
SCHEMBL6420333 0.71 MAP2K2 (0.35) MAP2K1MAP2K2CES2CES1

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 MAPT 1549/4885ALOX12 3103/4885ACKR3 3766/4885

“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.