SCHEMBL20028534

SCHEMBL20028534

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
AKR1C2 P52895 4/20 0.42
AKR1C1 Q04828 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 2/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C4 P17516 1/20 0.39
HNF4A P41235 3/20 0.39
ACMSD Q8TDX5 2/20 0.39
DHFR P00374 1/20 0.39
MCL1 Q07820 1/20 0.39
FABP4 P15090 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL20028532 0.81 HPGD (0.53) ALDH1A1MEN1GAAHPGDKMT2A
SCHEMBL4264881 0.75 GAA (0.66) ALDH1A1MEN1GAAHPGDKMT2A
SCHEMBL13398620 0.74 DAO (0.55) DAOAKR1C2AKR1C1ALDH1A1MEN1
SCHEMBL13616901 0.74 ALDH1A1 (0.47) ALDH1A1MEN1GAAHPGDKMT2A
SCHEMBL13398618 0.73 ALDH1A1 (0.51) DAOALDH1A1MEN1GAAHPGD
SCHEMBL15700050 0.69 DAO (0.42) DAOALDH1A1HPGDPTPN1MCL1
SCHEMBL15700055 0.69 HDAC3 (0.43) DAOALDH1A1HPGDPTPN1KDM4E
SCHEMBL3582859 0.67 ACMSD (0.59) AKR1C2AKR1C1PTPN1HNF4AACMSD
SCHEMBL31369064 0.67 ACMSD (0.59) AKR1C2AKR1C1PTPN1HNF4AACMSD
SCHEMBL30755268 0.67 NPC1 (0.48) ALDH1A1HNF4AACMSDKDM4ENPC1

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 DAO 4284/4885AKR1C2 4507/4885AKR1C1 4510/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 DAO 4516/4885AKR1C2 4634/4885AKR1C1 4668/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DAO 4284/4885AKR1C2 4507/4885AKR1C1 4510/4885

“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.