SCHEMBL2399861

SCHEMBL2399861

CN(C1CCN1C1=CC(=O)c2sc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)nc2C1=O)C1CCN1C1=CC(=O)c2sc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)nc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FASN P49327 2/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL2399165 0.87 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL2399866 0.85 ALDH1A1 (0.33) ALDH1A1TSHRKDM4EHSD17B10KMT2A
SCHEMBL3547580 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1FASNTSHRKDM4E
SCHEMBL2404200 0.83 SETD7 (0.34) ALDH1A1NPSR1TSHRKDM4EHSD17B10
SCHEMBL2400571 0.81 LMNA (0.40) ALDH1A1NPSR1TSHRKDM4EPOLB
SCHEMBL2398553 0.80 HPGD (0.34) ALDH1A1TSHRKDM4EHSD17B10KMT2A
SCHEMBL2401272 0.80 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHSD17B10POLB
SCHEMBL3550519 0.79 CDC25A (0.49) ALDH1A1NPSR1FASNTSHRKDM4E
SCHEMBL2399858 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1FASNTSHRKDM4E
SCHEMBL3549221 0.77 KMT2A (0.40) ALDH1A1NPSR1FASNTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US claimed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP claimed
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B ALDH1A1 2949/4885NPSR1 4562/4885FASN 4213/4885

“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.