SCHEMBL12836356

SCHEMBL12836356

O=C(CCCCCN1C(=O)C=CC1=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 10/20 0.42
▸ GRIA1 P42261 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ NPY4R P50391 2/20 0.40
▸ CHRNA1 P02708 1/20 0.40
▸ CHRNG P07510 1/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRND Q07001 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY5R Q15761 1/20 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
SCHEMBL12435181 0.91 FOLH1 (0.44) FOLH1AKT1
SCHEMBL12972292 0.84 GNPAT (0.46) FOLH1AKT1
SCHEMBL12836787 0.81 SIRT5 (0.39) —
SCHEMBL29528481 0.78 FAAH (0.56) —
SCHEMBL5550460 0.78 FAAH (0.56) —
SCHEMBL5550466 0.78 FAAH (0.56) —
SCHEMBL28624192 0.78 GNPAT (0.52) AKT1
SCHEMBL28624188 0.78 GNPAT (0.52) AKT1
SCHEMBL10198897 0.76 SSTR3 (0.44) —
Trifluoroacetic Acid SCHEMBL22207661 0.76 GNPAT (0.48) AKT1

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-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS, INC. (US) 2011-03-17 — — 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-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE CD47, CD2, CD22 FOLH1 193/4885GRIA1 1298/4885AKT1 3019/4885

“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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