SCHEMBL7065286

SCHEMBL7065286

CCCCCNC(=O)C(N)Cc1ccc(N)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.49
RRM1 P23921 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GRIA1 P42261 1/20 0.41
NAAA Q02083 2/20 0.40

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
SCHEMBL7680992 0.88 DPP7 (0.49) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL7065637 0.82 PTPN1 (0.51) GRIA1
SCHEMBL8914296 0.81 DPP7 (0.55) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL7066343 0.79 PTPN1 (0.57) GRIA1
SCHEMBL17941639 0.78 GRIA1 (0.57) DPP7RRM1GRIA1
SCHEMBL17941640 0.78 GRIA1 (0.57) DPP7RRM1GRIA1
SCHEMBL7127958 0.78 PTPN1 (0.60) GRIA1
SCHEMBL987955 0.78 DPP7 (0.58) DPP7RRM1NAAA
SCHEMBL16994019 0.78 DPP7 (0.58) DPP7RRM1NAAA
SCHEMBL17941646 0.77 NAAA (0.59) DPP7RRM1GNAI3GNAO1GNAI1

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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 DPP7 972/4885RRM1 4771/4885GNAI3 1663/4885

“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.