SCHEMBL18550691

SCHEMBL18550691

Cc1cc(C(=O)O)ccc1NC(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ MAPT P10636 7/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NEU3 Q9UQ49 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GRM1 Q13255 2/20 0.45

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
SCHEMBL3523687 0.87 ALDH1A1 (0.60) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL10999743 0.83 NPC1 (0.51) ALDH1A1KDM4ELMNANPC1MAPT
Hydrochloric Acid SCHEMBL7345254 0.82 NPC1 (0.50) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL3586872 0.81 NEU3 (0.58) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL18550651 0.79 EPHX1 (0.72) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL6235537 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ELMNANPC1MAPT
Hydrochloric Acid SCHEMBL28054067 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL2345304 0.77 HCAR3 (0.57) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL5453987 0.77 MEN1 (0.57) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL30817854 0.77 MEN1 (0.57) ALDH1A1KDM4ENPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 — — EP disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 — — EP disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 — — EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 — — WO disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 — — WO disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 — — US disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 — — US disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 — — 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 (1 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-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 ALDH1A1 1408/4885KDM4E 3397/4885LMNA 4621/4885

“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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