SCHEMBL22473457

SCHEMBL22473457

COC(=O)[C@H](CCCCN)NC(=O)CCCCN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.44
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ ERAP2 Q6P179 3/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.38
▸ FURIN P09958 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL17381376 0.86 SLC6A5 (0.55) SLC6A5NMT2NMT1FOLH1
SCHEMBL31384226 0.85 NOD1 (0.41) KMT2AFOLH1
SCHEMBL31467198 0.85 SLC6A5 (0.56) SLC6A5NMT2NMT1KMT2AFOLH1
SCHEMBL23695804 0.85 SLC6A5 (0.57) SLC6A5NMT2NMT1FOLH1
SCHEMBL31384232 0.84 SLC6A5 (0.50) SLC6A5NMT2NMT1KMT2AFOLH1
SCHEMBL30634501 0.82 SLC6A5 (0.53) SLC6A5NMT2NMT1FOLH1
SCHEMBL28698069 0.81 SLC6A5 (0.62) SLC6A5NMT2NMT1KMT2AERAP2
SCHEMBL3174603 0.80 SLC6A5 (0.64) SLC6A5NMT2NMT1KMT2AERAP2
SCHEMBL8620977 0.80 SLC6A5 (0.64) SLC6A5NMT2NMT1KMT2AERAP2
SCHEMBL18796577 0.80 SLC6A5 (0.64) SLC6A5NMT2NMT1KMT2AERAP2

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-10786576-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2020-09-29 — — 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-10786576-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 SLC6A5 2405/4885NMT2 489/4885NMT1 934/4885

“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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