SCHEMBL20028501

SCHEMBL20028501

Cc1cc(C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 6/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL20028500 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL20028047 0.82 KDM5A (0.44) MAPTKMT2AMEN1CYP2C9CYP2C19
SCHEMBL31199074 0.81 MAPT (0.49) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL18622991 0.80 MEN1 (0.46) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL16660104 0.80 ALDH1A1 (0.42) MAPTKMT2AMEN1CYP2C9CYP2C19
SCHEMBL15167339 0.79 CNR1 (0.51) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL20028647 0.78 KDM4E (0.42) SMN1; SMN2KMT2AMEN1CYP2C9CYP2C19
SCHEMBL3277283 0.76 MAPT (0.54) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL20027785 0.76 CNR1 (0.42) SMN1; SMN2MAPTNPC1RAB9ACNR1
SCHEMBL29271147 0.75 CNR1 (0.49) SMN1; SMN2MAPTNPC1RAB9ACNR1

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 SMN1; SMN2 200/4885MAPT 562/4885NPC1 2197/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SMN1; SMN2 263/4885MAPT 330/4885NPC1 1945/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885MAPT 562/4885NPC1 2197/4885

“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.