SCHEMBL16690779

SCHEMBL16690779

COc1ccc(CCc2cc(C(=O)O)c(N)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
F2RL1 P55085 1/20 0.43
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FFAR1 O14842 1/20 0.42
P2RX3 P56373 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
SCHEMBL23837175 0.89 MAPT (0.55) MAPTGAAHTTMEN1KMT2A
SCHEMBL16690704 0.88 GAA (0.54) MAPTGAAHTTTP53MEN1
SCHEMBL27459761 0.88 MAPT (0.60) MAPTGAAHTTTP53USP2
SCHEMBL16690697 0.86 GAA (0.55) MAPTGAAHTTTP53MEN1
SCHEMBL16690701 0.85 GAA (0.61) MAPTGAAHTTTP53MEN1
SCHEMBL16689456 0.85 GAA (0.43) MAPTGAAHTTMEN1KMT2A
SCHEMBL23827487 0.83 GAA (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL23827444 0.82 MAPT (0.56) MAPTGAAHTTTP53USP2
SCHEMBL23827439 0.82 HSD17B10 (0.50) MAPTGAAHTTTP53LMNA
SCHEMBL23827458 0.82 HTT (0.48) MAPTGAAHTTMEN1KMT2A

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
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 MAPT 4801/4885GAA 1316/4885HTT 2865/4885

“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.