SCHEMBL20838261

SCHEMBL20838261

O=C(O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.71
▸ ACE P12821 3/20 0.62
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ PTPN1 P18031 1/20 0.53
▸ TACR1 P25103 1/20 0.53
▸ CTRB1 P17538 5/20 0.52
▸ CA2 P00918 2/20 0.51
▸ CA1 P00915 1/20 0.51
▸ GPR132 Q9UNW8 1/20 0.51

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
SCHEMBL19437162 1.00 CTSL (0.71) CTSLACEGAARAB9AALDH1A1
SCHEMBL3927028 0.85 CTSL (0.71) CTSLACEGAARAB9AALDH1A1
SCHEMBL28790851 0.85 CTSL (0.71) CTSLACEGAARAB9AALDH1A1
SCHEMBL27888125 0.85 CTSL (0.51) CTSLACEGAARAB9ALMNA
SCHEMBL2461492 0.85 GAA (0.76) CTSLACEGAARAB9AALDH1A1
SCHEMBL31206887 0.85 GAA (0.76) CTSLACEGAARAB9AALDH1A1
SCHEMBL1793176 0.85 GAA (0.76) CTSLACEGAARAB9AALDH1A1
SCHEMBL19437160 0.83 CTSL (0.60) CTSLACEGAARAB9AALDH1A1
SCHEMBL20838245 0.83 CTSL (0.60) CTSLACEGAARAB9AALDH1A1
Formaldehyde SCHEMBL20816448 0.83 CTSL (0.67) CTSLACEGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 — — EP disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 — — US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 — — 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 (2 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-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 CTSL 252/4885ACE 1441/4885GAA 671/4885
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 CTSL 252/4885ACE 1441/4885GAA 671/4885

“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.

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