SCHEMBL5842967

SCHEMBL5842967

COc1ccccc1-c1ccc(C(=O)O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
HPGD P15428 4/20 1.00
KDM4E B2RXH2 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
MAPT P10636 2/20 0.73
SLC9A1 P19634 1/20 0.65
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL27585212 0.85 ALDH1A1 (0.74) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL4937754 0.85 ALDH1A1 (0.74) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL3875107 0.81 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL29941707 0.81 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL4940503 0.79 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL14019793 0.79 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL7138575 0.78 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL29273188 0.77 KDM4E (0.63) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL28761786 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL26263236 0.76 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK ALDH1A1 3662/4885HPGD 1408/4885KDM4E 1572/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ALDH1A1 2872/4885HPGD 1670/4885KDM4E 3882/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE ALDH1A1 4380/4885HPGD 2181/4885KDM4E 3745/4885

“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.