SCHEMBL24003733

SCHEMBL24003733

O=C(O)c1ccc(N[SH](=O)=O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 5/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GFER P55789 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ CYP26A1 O43174 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL24003735 0.81 MAPT (0.49) RAB9AHTTLMNAMAPK1GAA
SCHEMBL8114921 0.79 RAB9A (0.50) RAB9AHTTLMNAMAPK1GAA
SCHEMBL27347830 0.79 HDAC1 (0.44) HTTGAAKDM4EMEN1KMT2A
SCHEMBL6987179 0.78 HCAR3 (0.56) RAB9AHTTLMNAMAPK1GAA
SCHEMBL18753379 0.76 KMT2A (0.61) LMNAMAPK1GAAHSD17B10MEN1
SCHEMBL16539493 0.75 KDM5A (0.67) RAB9AHTTLMNAMAPK1GAA
SCHEMBL8367216 0.75 HDAC1 (0.71) RAB9AHTTLMNAMAPK1GAA
SCHEMBL14624383 0.75 AKR1C3 (0.50) RAB9ALMNAMAPK1GAAKDM4E
SCHEMBL27286217 0.75 ALDH1A1 (0.64) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL29114280 0.74 HCAR3 (0.59) RAB9AHTTLMNAMAPK1GAA

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
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 — — US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 — — US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 — — US disclosed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 — — EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 — — US disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 — — US disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 — — 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-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 RAB9A 1432/4885HTT 1834/4885LMNA 599/4885
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI RAB9A 2540/4885HTT 50/4885LMNA 875/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 RAB9A 1432/4885HTT 1834/4885LMNA 599/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 RAB9A 1432/4885HTT 1834/4885LMNA 599/4885

“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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