SCHEMBL20133400

SCHEMBL20133400

NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.44
NOD1 Q9Y239 1/20 0.41
QRFPR Q96P65 1/20 0.41
CCKBR P32239 5/20 0.40
HPGDS O60760 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL14300277 0.94 FOLH1 (0.44) FOLH1NOD1HPGDSALDH1A1
SCHEMBL24618746 0.86 BMP1 (0.51) FOLH1ALDH1A1
SCHEMBL20133399 0.86 QRFPR (0.43) FOLH1NOD1QRFPRHPGDS
SCHEMBL21853695 0.84 FOLH1 (0.41) FOLH1NOD1
SCHEMBL22574289 0.80 CHRM5 (0.44) FOLH1ALDH1A1
SCHEMBL24618910 0.80 CHRM5 (0.44) FOLH1ALDH1A1
SCHEMBL6869880 0.77 NOD1 (0.49) FOLH1NOD1HPGDS
SCHEMBL14288963 0.77 BMP1 (0.43) FOLH1ALDH1A1
SCHEMBL26440808 0.75 FOLH1 (0.42) FOLH1QRFPRALDH1A1
SCHEMBL21243004 0.75 SIRT5 (0.45) FOLH1NOD1HPGDS

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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2018-05-10 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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R FOLH1 82/4885NOD1 4194/4885QRFPR 137/4885

“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.