SCHEMBL2920554

SCHEMBL2920554

CC(C)n1cc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
KDM5B Q9UGL1 3/20 0.41
AURKA O14965 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL30237650 0.87 CA12 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL21854207 0.86 L3MBTL1 (0.43) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL21854021 0.84 LMNA (0.45) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL21854220 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL16973966 0.82 NR1H4 (0.48) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL2927479 0.81 MAPK1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2ATMLMNA
SCHEMBL21854037 0.80 NPC1 (0.42) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL11362364 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL3493201 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL23399527 0.77 KMT2A (0.43) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E

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 9 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-2481736-A1 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases Deciphera Pharmaceuticals, LLC. (US) 2012-08-01 EP disclosed
CN-101878031-A The inhibitors of kinases that is used for the treatment of myeloproliferative disease and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2010-11-03 CN disclosed
EP-2148677-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-02-03 EP disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 US disclosed
WO-2008131276-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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 (4 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 4193/4885L3MBTL1 3522/4885HPGD 2346/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885L3MBTL1 4453/4885HPGD 2414/4885
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT ALDH1A1 1743/4885L3MBTL1 734/4885HPGD 4683/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885L3MBTL1 3522/4885HPGD 2346/4885

“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.