SCHEMBL3451652

SCHEMBL3451652

C[C@H](c1nc2cc(F)c(F)cc2[nH]1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EGLN1 Q9GZT9 4/20 0.38
SCN10A Q9Y5Y9 5/20 0.36
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
EIF4A3 P38919 1/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL3449356 0.79 KMT2A (0.52) LMNACYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL1390562 0.78 ALDH1A1 (0.37) SCN10AHSD17B10ALDH1A1PRCP
SCHEMBL1390847 0.72 KDM4E (0.46) HSD17B10KDM4ECYP1A2ALDH1A1CYP3A4
SCHEMBL4107335 0.72 HSD17B10 (0.61) HRH4HRH3SCN10AHSD17B10KDM4E
SCHEMBL1390854 0.71 MEN1 (0.43) KDM4ELMNAALDH1A1
SCHEMBL2505194 0.70 AAK1 (0.48) HRH4HRH3AAK1PRCP
SCHEMBL2505196 0.70 AAK1 (0.48) HRH4HRH3AAK1PRCP
SCHEMBL24075322 0.70 AAK1 (0.48) HRH4HRH3SCN10AHSD17B10KDM4E
SCHEMBL5118214 0.70 AAK1 (0.48) HRH4HRH3SCN10AHSD17B10KDM4E
SCHEMBL6986516 0.67 SCN10A (0.45) HRH4HRH3SCN10AHSD17B10KDM4E

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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 HRH4 1356/4885HRH3 2004/4885EGLN1 57/4885

“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.