SCHEMBL4498910

SCHEMBL4498910

CC(C)c1cc(C(=O)O)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
GAA P10253 1/20 1.00
GRN P28799 1/20 0.60
SORT1 Q99523 1/20 0.60
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
KCNJ6 P48051 5/20 0.51
KCNJ5 P48544 5/20 0.51
KCNJ3 P48549 5/20 0.51
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.45
BRAF P15056 1/20 0.44
RPA1 P27694 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL13912473 0.87 ALDH1A1 (0.77) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL4422536 0.86 ALDH1A1 (0.75) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL19994231 0.85 ALDH1A1 (0.74) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL2927650 0.85 ALDH1A1 (0.74) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL6414804 0.84 ALDH1A1 (0.73) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL2926051 0.82 ALDH1A1 (0.68) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL29052109 0.80 ALDH1A1 (0.67) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL1259093 0.79 ALDH1A1 (0.66) ALDH1A1GAAGRNSORT1KCNJ6
SCHEMBL15516637 0.79 ALDH1A1 (0.64) ALDH1A1GAAGRNSORT1MAPK13
SCHEMBL17290503 0.79 ALDH1A1 (0.65) ALDH1A1GAAGRNSORT1MAPK13

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 12 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
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US 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 (5 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 4193/4885GAA 616/4885GRN 1000/4885
US-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 ALDH1A1 2159/4885GAA 4732/4885GRN 4261/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885GAA 751/4885GRN 643/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885GAA 616/4885GRN 1000/4885
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885GAA 1397/4885GRN 764/4885

“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.