SCHEMBL6992562

SCHEMBL6992562

CSc1sc(C=CC(=O)O)c2c1C(=O)CCC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LRRK2 Q5S007 1/20 0.43
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL6992555 1.00 KDM4E (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL1060812 0.76 KDM4E (1.00) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL8279348 0.73 KDM4E (0.78) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL6799646 0.70 KDM4E (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7464492 0.68 ALDH1A1 (0.57) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL2434846 0.67 ALDH1A1 (0.56) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL23111604 0.67 LRRK2 (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL1857463 0.67 NPSR1 (1.00) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7464487 0.65 KDM4E (0.65) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7244568 0.64 NPSR1 (0.95) KDM4EALDH1A1POLBRXFP1NPSR1

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 KDM4E 1392/4885ALDH1A1 2271/4885POLB 1309/4885

“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.