SCHEMBL13616901

SCHEMBL13616901

Cc1cc(C(=O)O)c(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LDHA P00338 1/20 0.44
POLB P06746 1/20 0.43
PTPN5 P54829 1/20 0.43
HNF4A P41235 2/20 0.42
ACMSD Q8TDX5 2/20 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
SCHEMBL4118761 0.87 MAPT (0.44) ALDH1A1LMNAMAPK1HPGDNPC1
SCHEMBL381895 0.81 PTPN1 (0.50) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL4264881 0.79 GAA (0.66) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL13398620 0.78 DAO (0.55) ALDH1A1LMNAHPGDMEN1GAA
SCHEMBL13398618 0.77 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1HPGDMEN1
SCHEMBL19207171 0.77 KDM4E (0.50) ALDH1A1LMNAMAPK1HPGDGAA
SCHEMBL10024213 0.76 KMT2A (0.48) ALDH1A1LMNAMAPK1HPGDMEN1
SCHEMBL15818163 0.74 MAPT (0.51) ALDH1A1LMNAMAPK1HPGDMEN1
SCHEMBL20028534 0.74 DAO (0.43) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL27655305 0.73 HPGD (0.41) HPGDMEN1KMT2ANPC1KDM4E

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 5 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
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP 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 ALDH1A1 4193/4885LMNA 1415/4885MAPK1 3457/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885LMNA 1105/4885MAPK1 3624/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885LMNA 1415/4885MAPK1 3457/4885

“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.