SCHEMBL6990401

SCHEMBL6990401

CCOC(=O)c1sc(SC(C)C)c2c1CCC(Br)C2=O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADORA3 P0DMS8 1/20 0.44
FNTA P49354 9/20 0.43
FNTB P49356 9/20 0.43
KDM4E B2RXH2 1/20 0.42
ADORA2A P29274 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
SCHEMBL6987780 0.87 NPSR1 (0.63) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL6991759 0.84 MEN1 (0.48) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL6987760 0.83 MEN1 (0.45) MEN1KMT2ANPSR1ADORA3FNTA
SCHEMBL6993107 0.83 MEN1 (0.47) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL6996194 0.79 ADORA2A (0.69) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL4412758 0.79 MEN1 (0.76) MEN1KMT2ANPSR1ADORA3FNTA
SCHEMBL7041807 0.73 NPSR1 (0.60) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL7246718 0.71 MEN1 (0.46) MEN1KMT2ANPSR1ADORA3KDM4E
SCHEMBL6987174 0.71 MEN1 (0.43) MEN1KMT2ANPSR1FNTAFNTB
SCHEMBL6996404 0.70 NPSR1 (0.58) MEN1KMT2ANPSR1ADORA3KDM4E

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 8 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
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 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-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.