SCHEMBL4260780

SCHEMBL4260780

Cc1ccc(N[C@@H](C)C(=O)O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.42
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL7712688 1.00 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL30047330 0.86 PTGS1 (0.48) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL5661600 0.86 PTGS1 (0.48) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL5661601 0.86 PTGS1 (0.48) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL11203097 0.84 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL11058766 0.84 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1AKR1C3
Hydrochloric Acid SCHEMBL6133017 0.83 TSHR (0.49) KMT2ANPC1RAB9AALDH1A1HDAC1
SCHEMBL11599210 0.82 RAPGEF4 (0.43) LMNAPTGS1PTGS2
SCHEMBL11599212 0.82 RAPGEF4 (0.43) LMNAPTGS1PTGS2
SCHEMBL29180082 0.80 MAPT (0.57) NPC1RAB9AALDH1A1MAPTHTT

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-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 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-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP KMT2A 1951/4885NPC1 300/4885RAB9A 2994/4885

“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.