SCHEMBL6986576

SCHEMBL6986576

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.52
CDC7 O00311 6/20 0.50
DBF4 Q9UBU7 6/20 0.50
TRPM8 Q7Z2W7 2/20 0.49
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
DHODH Q02127 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 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
SCHEMBL6987226 0.89 CDC7 (0.53) ADORA2ACDC7DBF4TRPM8RARA
SCHEMBL6986970 0.89 SMN1; SMN2 (0.41) ADORA2ACDC7DBF4TRPM8RARA
SCHEMBL6990413 0.87 CDC7 (0.42) ADORA2ACDC7DBF4ALDH1A1KDM4E
SCHEMBL6987770 0.76 RARA (0.46) ADORA2ACDC7DBF4TRPM8RARA
SCHEMBL6992723 0.75 CCNC (0.49) CDC7DBF4RARARARBRARG
SCHEMBL6990002 0.75 NPC1 (0.53) CDC7DBF4ALDH1A1HPGDKDM4E
SCHEMBL7243517 0.74 DRD4 (0.45) ADORA2AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6985502 0.73 KDM4E (0.59) ADORA2AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6988867 0.73 ALDH1A1 (0.51) CDC7DBF4ALDH1A1HPGDKDM4E
SCHEMBL4503056 0.72 CDC7 (0.88) ADORA2ACDC7DBF4TRPM8RARA

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 ADORA2A 4794/4885CDC7 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.