SCHEMBL6994471

SCHEMBL6994471

CCOC(=O)C1CC(=O)c2ccsc2C1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HTR2C P28335 4/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
PDK1 Q15118 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9834873 0.85 KMT2A (0.64) ALDH1A1KMT2AKDM4EHTR2CMAPT
SCHEMBL9344657 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL6989315 0.74 PDK1 (0.51) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL6996021 0.73 MEN1 (0.43) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL23460078 0.73 KDM4E (0.50) ALDH1A1KMT2AKDM4EHTR2CMEN1
SCHEMBL8792481 0.73 KDM4E (0.38) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL15774873 0.72 KMT2A (0.64) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL1425950 0.72 HTR2C (0.38) ALDH1A1KMT2AKDM4EHTR2CMEN1
SCHEMBL871448 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL4791960 0.70 PKM (0.39) ALDH1A1KMT2AKDM4EMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855486-B1 SPIRO TETRAHYDRO-BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARES TRADING SA (CH) 2016-04-06 EP disclosed
US-9233982-B2 Spiro tetrahydro—benzothiophen derivatives useful for the treatment neurodegenerative diseases ARES TRADING S.A. (CH) 2016-01-12 US disclosed
US-9233982-B2 Spiro tetrahydro—benzothiophen derivatives useful for the treatment neurodegenerative diseases ARES TRADING S.A. (CH) 2016-01-12 US disclosed
US-9233982-B2 Spiro tetrahydro—benzothiophen derivatives useful for the treatment neurodegenerative diseases ARES TRADING S.A. (CH) 2016-01-12 US disclosed
US-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2015-04-23 US disclosed
US-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2015-04-23 US disclosed
US-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2015-04-23 US disclosed
EP-2855486-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES Ares Trading SA (CH) 2015-04-08 EP disclosed
WO-2013178322-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES ARES TRADING S.A. (CH) 2013-12-05 WO disclosed
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 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-20150111882-A1 SPIRO TETRAHYDRO - BENZOTHIOPHEN DERIVATIVES USEFUL FOR THE TREATMENT NEURODEGENERATIVE DISEASES PSEN1, PSEN2, BACE2 ALDH1A1 764/4885KMT2A 3382/4885KDM4E 3516/4885

“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.