SCHEMBL7666149

SCHEMBL7666149

COC(=O)CC1CCC(c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CHRM4 P08173 1/20 0.39
HPGD P15428 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GAA P10253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6709562 0.91 PTPN12 (0.64) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL8184394 0.86 PTPN12 (0.64) PTPN12PTPN22SMN1; SMN2HTTMAPT
Bicarbonate SCHEMBL7012008 0.86 PTPN12 (0.63) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL7661812 0.85 PTPN12 (0.44) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL6708285 0.85 PTPN12 (0.57) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL7674654 0.85 PTPN12 (0.47) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL5251584 0.82 PTPN12 (0.49) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL6708335 0.80 PTPN12 (0.48) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL5251378 0.80 PTPN12 (0.48) PTPN12PTPN22SMN1; SMN2HTTMAPT
SCHEMBL5250586 0.79 PTPN12 (0.44) PTPN12PTPN22SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495554-B2 PHOSPHODIESTERASE V INHIBITORS, TREATING CARDIOVASCULAR DISORDERS, AND THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 US disclosed
US-20020132818-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2002-09-19 US disclosed
US-6420368-B1 DISEASES OF THE CARDIOVASCULAR SYSTEM AND FOR TREATMENT AND/OR THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-16 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-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A PTPN12 1259/4885PTPN22 1102/4885SMN1; SMN2 914/4885

“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.