SCHEMBL2116770

SCHEMBL2116770

O=C(O)c1cc(-c2ccccc2)sn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CHRNA7 P36544 1/20 0.49
PTPN1 P18031 1/20 0.47
KMO O15229 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 2/20 0.41
RPA1 P27694 1/20 0.41

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
SCHEMBL25415252 0.81 HPGD (0.55) ALDH1A1CHRNA7KDM4EMEN1KMT2A
SCHEMBL2603346 0.81 ALDH1A1 (0.50) ALDH1A1CHRNA7KDM4ETSHRMEN1
SCHEMBL5153261 0.74 HSD17B1 (0.44) ALDH1A1CHRNA7MEN1KMT2AGAA
SCHEMBL17336544 0.73 KMO (0.64) ALDH1A1KMOKDM4EGAAHPGD
SCHEMBL1759786 0.71 MCL1 (0.64) ALDH1A1KMOKDM4EALOX15TSHR
SCHEMBL28510819 0.71 RAB9A (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL19814523 0.70 KMO (0.54) ALDH1A1KMOKDM4EACMSDMEN1
SCHEMBL29775695 0.70 KMO (0.54) ALDH1A1KMOKDM4EACMSDMEN1
SCHEMBL8113541 0.69 ADRA1A (0.38) ALDH1A1KDM4ETSHRGAAHPGD
SCHEMBL162059 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299270-A1 PROTEOSTASIS REGULATORS Kineta, Inc. 2020-09-24 US disclosed
EP-3552664-A1 PROTEOSTASIS REGULATORS Proteostasis Therapeutics, Inc. (US) 2019-10-16 EP disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-9556166-B2 Proteostasis regulators PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-01-31 US disclosed
US-9556166-B2 Proteostasis regulators PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-01-31 US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 US disclosed
WO-2012154967-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
EP-2443113-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2012-04-25 EP disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 WO disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 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-20200299270-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 ALDH1A1 3419/4885CHRNA7 4830/4885PTPN1 3019/4885
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 ALDH1A1 361/4885CHRNA7 1599/4885PTPN1 2625/4885
US-20170247355-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 ALDH1A1 3419/4885CHRNA7 4830/4885PTPN1 3019/4885
US-20120316193-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 ALDH1A1 3419/4885CHRNA7 4830/4885PTPN1 3019/4885

“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.