SCHEMBL6987272

SCHEMBL6987272

CCOC(=O)c1sc(SC)c2c1CCc1nc(C)oc1-2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 3/20 0.52
ADORA3 P0DMS8 1/20 0.47
CCNC P24863 3/20 0.44
CDK8 P49336 3/20 0.44
CDK19 Q9BWU1 3/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ADORA2A P29274 1/20 0.39
HPGD P15428 1/20 0.38
CDK9 P50750 1/20 0.37
CYP1A2 P05177 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
SCHEMBL6987174 0.88 MEN1 (0.43) MEN1KMT2ANPSR1KDM4ELMNA
SCHEMBL6990670 0.85 CCNC (0.60) MEN1KMT2ANPSR1KDM4ECCNC
SCHEMBL6990680 0.85 KDM4E (0.50) MEN1KMT2ANPSR1KDM4ECCNC
SCHEMBL18429129 0.76 CCNC (0.69) MEN1KMT2ANPSR1KDM4EADORA3
SCHEMBL6986417 0.76 CCNC (0.40) MEN1KMT2ANPSR1CCNCCDK8
SCHEMBL6985502 0.75 KDM4E (0.59) MEN1KMT2ANPSR1KDM4EADORA3
SCHEMBL6991615 0.73 MEN1 (0.51) MEN1KMT2ANPSR1KDM4EADORA3
SCHEMBL6995860 0.73 CCNC (0.46) MEN1KMT2AKDM4ECCNCCDK8
SCHEMBL6992996 0.73 CCNC (0.37) KMT2AKDM4ECCNCCDK8CDK19
SCHEMBL1857463 0.72 NPSR1 (1.00) MEN1KMT2ANPSR1KDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931074-B1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP disclosed
US-6489351-B1 POSSESSES CELL DIFFERENTIATION INDUCING FACTOR ACTION-ENHANCING ACTIVITY AND ANTI-MATRIX METALLOPROTEASE ACTIVITY AND THAT IS USEFUL IN THE PREVENTION AND TREATMENT OF BONE DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-6391905-B1 4,5-DIHYDRO-8-METHYLTHIO-2-PHENYLFURO(3,4-E)BENZOTHIAZOLE-6-CA RBOXYLIC ACID, FOR EXAMPLE; ANTI-MATRIX METALLOPROTEASE ACTIVITY; FOR BONE DISEASES SUCH AS OSTEOPOROSIS, RHEUMATOID ARTHRITIS, CANCER METASTASIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
US-20020049242-A1 Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-04-25 US disclosed
US-6242471-B1 BONE DISORDERS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, CANCER METASTASIS, NERVOUS SYSTEM AND BRAIN DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
US-6066658-A FOR PREVENTION AND TREATMENT OF BONE DISEASES SUCH AS OSTEOPOROSIS, BONE FRACTURES, OSTEOARTHRITIS AND RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, CANCER METASTASIS, AND DISEASES BASED ON NERVE DEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 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-20020049242-A1 Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action ACIN1, NFE2, NFE2L2 MEN1 4527/4885KMT2A 3669/4885NPSR1 3927/4885

“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.