SCHEMBL20868778

SCHEMBL20868778

CC(C)(C)OC(=O)Nc1ccc2nc(C(F)(F)F)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.46
LCK P06239 9/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CSNK1D P48730 1/20 0.43
DYRK1A Q13627 1/20 0.43
P2RX3 P56373 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL2055274 0.84 LCK (0.52) LDHALCKNPC1MAPTCASP3
SCHEMBL14079744 0.84 LDHA (0.67) LDHANPC1MAPTRAB9AP2RX3
SCHEMBL7130741 0.82 EPHX2 (0.58) LDHALCKNPC1MAPTRAB9A
SCHEMBL20856572 0.82 LDHA (0.52) LDHANPC1MAPTRAB9ADYRK1A
SCHEMBL30554092 0.81 LDHA (0.46) LDHALCKNPC1MAPTCASP3
SCHEMBL30554089 0.78 LCK (0.45) LDHALCKNPC1MAPTCASP3
SCHEMBL13054075 0.75 RAB9A (0.67) LCKMAPTRAB9A
SCHEMBL24104137 0.75 KMT2A (0.64) LCKNPC1MAPTCASP3RAB9A
SCHEMBL30554098 0.75 LCK (0.42) LDHALCKNPC1MAPTCASP3
SCHEMBL30702144 0.75 KAT6A (0.44) NPC1RAB9AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 WO 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-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LDHA 2163/4885LCK 1359/4885NPC1 1772/4885

“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.