SCHEMBL5864632

SCHEMBL5864632

Nc1ccc(CC2CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
CHIT1 Q13231 2/20 0.38
DPP4 P27487 2/20 0.38
S1PR1 P21453 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
SLC6A9 P48067 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
SCHEMBL1996255 1.00 FOLH1 (0.45) FOLH1CHIT1DPP4S1PR1DPP7
SCHEMBL1079200 1.00 FOLH1 (0.45) FOLH1CHIT1DPP4S1PR1DPP7
SCHEMBL15904929 1.00 FOLH1 (0.45) FOLH1CHIT1DPP4S1PR1DPP7
SCHEMBL17119211 1.00 FOLH1 (0.45) FOLH1CHIT1DPP4S1PR1DPP7
Hydrochloric Acid SCHEMBL31226505 0.99 FOLH1 (0.44) FOLH1CHIT1DPP4S1PR1DPP7
SCHEMBL436094 0.94 LMNA (0.45) FOLH1CHIT1DPP4S1PR1CA1
SCHEMBL23627788 0.93 HSD17B10 (0.44) FOLH1CHIT1DPP4
SCHEMBL12974377 0.93 FOLH1 (0.41) FOLH1CHIT1DPP4SIGMAR1
SCHEMBL4098689 0.93 HSD17B10 (0.44) FOLH1CHIT1DPP4
SCHEMBL12261650 0.93 FOLH1 (0.41) FOLH1CHIT1DPP4S1PR1SLC6A9

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-7132513-B2 Bifunctional chelating agent EUROPEAN COMMUNITY (BE) 2006-11-07 US disclosed
US-6696551-B1 RADIOIMMUNOTHERAPY, DECONTAMINATION AND DETOXIFICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-02-24 US disclosed
US-20030027302-A1 Bifunctional chelating agent INSERM INSTITUT NATIOANL DE LA SANTE ET DE LA REOHERCHE MEDICALE (FR) 2003-02-06 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-20030027302-A1 Bifunctional chelating agent H1-2, H1-0, H1-5 FOLH1 497/4885CHIT1 1613/4885DPP4 3126/4885

“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.