SCHEMBL7799498

SCHEMBL7799498

O=C(C[C@H](NC(=O)C(F)(F)F)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.51
ACE P12821 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 1/20 0.40
FOLH1 Q04609 2/20 0.39
CTSL P07711 1/20 0.39
PDPK1 O15530 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.38
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7799493 1.00 PLOD2 (0.51) PLOD2ACEMEN1KMT2AATM
SCHEMBL3816016 0.88 TSHR (0.50) ACEMEN1KMT2AATMRAB9A
SCHEMBL3851420 0.88 TSHR (0.50) ACEMEN1KMT2AATMRAB9A
SCHEMBL7908375 0.85 CES2 (0.40) ACERAB9AMAPTKDM4E
SCHEMBL7899386 0.85 CES2 (0.40) ACERAB9AMAPTKDM4E
SCHEMBL7908401 0.85 CES2 (0.40) ACERAB9AMAPTKDM4E
SCHEMBL7912396 0.83 MAPT (0.43) ACEMEN1KMT2ANPC1RAB9A
SCHEMBL7908676 0.83 MAPT (0.43) ACEMEN1KMT2ANPC1RAB9A
SCHEMBL6479124 0.82 ALDH1A1 (0.48) RAB9AALDH1A1MAPTPKMHTT
SCHEMBL6479127 0.82 ALDH1A1 (0.48) RAB9AALDH1A1MAPTPKMHTT

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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT PLOD2 497/4885ACE 499/4885MEN1 4851/4885

“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.