SCHEMBL6986970

SCHEMBL6986970

CCCSc1sc(C(=O)O)c2c1-c1nc(-c3ccccc3)sc1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ADORA2A P29274 1/20 0.38
GRIA4 P48058 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
MAPT P10636 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6990413 0.92 CDC7 (0.42) SMN1; SMN2CDC7DBF4NPC1RAB9A
SCHEMBL6986576 0.89 ADORA2A (0.52) CDC7DBF4ADORA2ARARARARB
SCHEMBL6992723 0.86 CCNC (0.49) SMN1; SMN2CDC7DBF4NPC1RAB9A
SCHEMBL6990002 0.78 NPC1 (0.53) SMN1; SMN2CDC7DBF4NPC1RAB9A
SCHEMBL6987226 0.78 CDC7 (0.53) CDC7DBF4ADORA2ARARARARB
SCHEMBL6988867 0.77 ALDH1A1 (0.51) SMN1; SMN2CDC7DBF4NPC1RAB9A
SCHEMBL6989475 0.73 TRPM8 (0.41) SMN1; SMN2PTGDR2ALDH1A1KDM4EPOLB
SCHEMBL6995342 0.73 CDC7 (0.50) SMN1; SMN2CDC7DBF4NPC1MAPT
SCHEMBL7249584 0.72 DRD4 (0.45) ADORA2AGRIA4MAPTALDH1A1KDM4E
SCHEMBL8319767 0.72 TSHR (0.46) SMN1; SMN2NPC1RAB9AADORA2AALDH1A1

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 SMN1; SMN2 991/4885CDC7 2224/4885DBF4 2609/4885

“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.