SCHEMBL417703

SCHEMBL417703

O=C(O)C[C@H](O)CSc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
EGFR P00533 1/20 0.37
CA1 P00915 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
SCHEMBL4994124 1.00 MAPT (0.48) MAPTALDH1A1SLC22A6MMP12MMP13
SCHEMBL4996628 0.84 FFAR1 (0.53) ALDH1A1SLC22A6MMP12MMP13NPC1
SCHEMBL4994953 0.83 ALDH1A1 (0.44) MAPTALDH1A1SLC22A6MMP12MMP13
SCHEMBL10432941 0.78 MAPT (0.49) MAPTEGFR
SCHEMBL7075001 0.78 GABBR2 (0.50) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL5180778 0.77 FOLH1 (0.52) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL11869200 0.74 KIF11 (0.55) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL11570330 0.74 KIF11 (0.55) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL306884 0.74 FFAR1 (0.65) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL4994097 0.73 BACE1 (0.54) ALDH1A1SLC22A6MMP12MMP13LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 MAPT 3216/4885ALDH1A1 455/4885SLC22A6 3648/4885

“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.