SCHEMBL5501892

SCHEMBL5501892

O=C(O)C1CSC(c2ccc([N+](=O)[O-])cc2)=N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
GPR35 Q9HC97 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SRD5A2 P31213 1/20 0.41
RAB9A P51151 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
APP P05067 1/20 0.39
PKM P14618 1/20 0.38
CES1 P23141 2/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL28387057 1.00 TDP1 (0.44) TDP1GPR35POLBMAPK1SRD5A2
SCHEMBL14481980 0.84 MAPT (0.44) MAPK1RAB9APTPN2PTPN1CSNK2A2
SCHEMBL3367939 0.81 HTR2B (0.47) TDP1GPR35POLBMAPK1PTPN2
SCHEMBL3367945 0.81 HTR2B (0.47) TDP1GPR35POLBMAPK1PTPN2
SCHEMBL3369220 0.81 HTR2B (0.47) TDP1GPR35POLBMAPK1PTPN2
SCHEMBL12872412 0.80 GPR35 (0.56) GPR35MAPK1SRD5A2RAB9A
SCHEMBL9231796 0.80 GPR35 (0.56) GPR35MAPK1SRD5A2RAB9A
SCHEMBL4424299 0.80 MAPT (0.39) MAPK1RAB9APTPN2PTPN1APP
SCHEMBL4424294 0.80 MAPT (0.39) MAPK1RAB9APTPN2PTPN1APP
SCHEMBL4415767 0.80 HTR2B (0.49) GPR35MAPK1RAB9APKM

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
CN-118290434-A Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof 南开大学 2024-07-05 CN claimed
CN-118290434-A Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof 南开大学 2024-07-05 CN disclosed
CN-111072590-B (R) -2-aryl-4, 5-dihydrothiazole-4-carboxylic acid derivatives, and preparation method and application thereof 天津农学院 2022-04-01 CN disclosed
CN-111072590-A (R) -2-aryl-4, 5-dihydrothiazole-4-carboxylic acid derivatives, and preparation method and application thereof 天津农学院 2020-04-28 CN disclosed
CN-110698425-A Bishydrazide-containing (R) -2-aryl-4, 5-dihydrothiazole-4-carboxylic acid derivatives, and preparation method and application thereof 天津农学院 2020-01-17 CN disclosed
CN-1835937-B Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV 2012-07-18 CN disclosed
EP-1656360-B1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
CN-1835937-A Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2006-09-20 CN disclosed
EP-1656360-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-17 EP disclosed
US-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JASSEN PHARMACEUTICA N.V. (BE) 2005-01-20 US disclosed
WO-2004113309-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-29 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 (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-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 TDP1 3753/4885GPR35 76/4885POLB 3126/4885

“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.