SCHEMBL20028532

SCHEMBL20028532

CCOC(=O)c1cc(C(F)(F)F)sc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.53
ALDH1A1 P00352 8/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 3/20 0.53
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
ALOX15 P16050 1/20 0.53
GRM6 O15303 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 4/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 1/20 0.48
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL20028742 0.83 ALDH1A1 (0.58) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL976420 0.82 ALDH1A1 (0.72) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL20028534 0.81 DAO (0.43) HPGDALDH1A1GAARAB9AALOX15
SCHEMBL22897286 0.81 GRM6 (0.59) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL20028533 0.81 ALDH1A1 (0.56) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL13398578 0.81 GAA (0.58) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL13398635 0.78 ALDH1A1 (0.53) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL29360961 0.78 GAA (0.46) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL5128149 0.76 GAA (0.63) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL3609310 0.74 TSHR (0.58) HPGDALDH1A1MAPTGAAHSD17B10

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 HPGD 2346/4885ALDH1A1 4193/4885MAPT 562/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 HPGD 2414/4885ALDH1A1 4421/4885MAPT 330/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 HPGD 2346/4885ALDH1A1 4193/4885MAPT 562/4885

“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.