SCHEMBL4172995

SCHEMBL4172995

O=C(O)CC[C@H](NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.73
▸ FOLH1 Q04609 9/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL24235513 1.00 KMT2A (0.73) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL6575642 0.92 KMT2A (0.64) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL22271659 0.89 KMT2A (0.63) KMT2AFOLH1TLR2MDM2
SCHEMBL10051914 0.89 KMT2A (0.58) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL588932 0.89 KMT2A (0.58) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL26512839 0.87 TLR2 (0.61) KMT2ATLR2MDM2
SCHEMBL31664707 0.87 KMT2A (0.56) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL24728974 0.87 KMT2A (0.56) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL17746999 0.86 KMT2A (0.58) KMT2AFOLH1TLR2MDM4TP53
SCHEMBL17746997 0.86 KMT2A (0.58) KMT2AFOLH1TLR2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539336-B2 Sialic acid derivatives BROSSMER REINHARD (DE) 2017-01-10 — — US disclosed
US-20150174262-A1 Sialic Acid Derivatives BROSSMER REINHARD (DE) 2015-06-25 — — US disclosed
US-20090239939-A1 Combinations for introducing nucleic acids into cells PLANK CHRISTIAN 2009-09-24 — — US disclosed
US-20030026840-A1 Combinations for introducing nucleic acids into cells PLANK CHRISTIAN (DE) 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 (3 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-20030026840-A1 Combinations for introducing nucleic acids into cells POLRMT, RNASE1, POLI KMT2A 3522/4885FOLH1 375/4885TLR2 746/4885
US-20150174262-A1 Sialic Acid Derivatives NEU1, SIGLEC9, SIGLEC7 KMT2A 4033/4885FOLH1 1971/4885TLR2 147/4885
US-20090239939-A1 Combinations for introducing nucleic acids into cells POLRMT, RNASE1, POLI KMT2A 3522/4885FOLH1 375/4885TLR2 746/4885

“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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