SCHEMBL15047602

SCHEMBL15047602

Nc1ccc(CC(=O)NCC2CN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CCN2CC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ FOLH1 Q04609 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL15709382 0.98 SIGMAR1 (0.43) SIGMAR1FOLH1ALDH1A1NPC1RAB9A
SCHEMBL20145720 0.90 SIGMAR1 (0.39) SIGMAR1FOLH1ALDH1A1NPC1RAB9A
SCHEMBL15047614 0.86 KDM4E (0.48) SIGMAR1SMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL15906364 0.84 OPRD1 (0.40) FOLH1GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15709381 0.83 KDM4E (0.47) SIGMAR1SMN1; SMN2ALDH1A1L3MBTL1KCNH2
SCHEMBL20193720 0.82 FOLH1 (0.38) SIGMAR1FOLH1GAASMN1; SMN2ALDH1A1
SCHEMBL15709429 0.82 FOLH1 (0.40) FOLH1ALDH1A1L3MBTL1CYP2D6KCNH2
SCHEMBL1079200 0.81 FOLH1 (0.45) SIGMAR1FOLH1
SCHEMBL5864632 0.81 FOLH1 (0.45) SIGMAR1FOLH1
SCHEMBL1996255 0.81 FOLH1 (0.45) SIGMAR1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 — — US disclosed
WO-2013088395-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-06-20 — — 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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS SSTR4, SSTR3, SSTR2 SIGMAR1 352/4885FOLH1 638/4885GAA 1500/4885

“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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