SCHEMBL14012379

SCHEMBL14012379

NCCN(Cc1ccc(CN(CCN)C(=O)CCC(=O)NCCNC(=S)Nc2ccc(S(=O)(=O)O)cc2)cc1)C(=O)CCC(=O)NCCNC(=S)Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.44
▸ CA1 P00915 12/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ CA12 O43570 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ GAA P10253 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
SCHEMBL14703490 0.93 SMN1; SMN2 (0.43) CA2CA1CA9ALDH1A1CA12
SCHEMBL13521689 0.77 TPSAB1 (0.47) CA2CA1
SCHEMBL14703486 0.74 HDAC3 (0.51) —
SCHEMBL13919712 0.74 TPSAB1 (0.47) ALDH1A1HPGDKMT2AGAA
SCHEMBL17696534 0.72 SMN1; SMN2 (0.58) CA2CA1CA9ALDH1A1CA12
SCHEMBL13521700 0.71 TPSAB1 (0.49) CA2CA1CA12CA4
SCHEMBL13521694 0.71 HDAC3 (0.50) HPGDSMN1; SMN2HTT
SCHEMBL13521697 0.70 TMEM97 (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13875714 0.70 HDAC3 (0.51) LMNASMN1; SMN2GAA
SCHEMBL13885382 0.69 PLK1 (0.52) CA2CA1CA9ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 — — 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-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 CA2 212/4885CA1 86/4885CA9 155/4885

“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.

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