SCHEMBL20013097

SCHEMBL20013097

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)NCCCOCCOCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ TLR2 O60603 8/20 0.37
▸ TLR1 Q15399 2/20 0.37
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL20009559 0.97 KMT2A (0.40) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20009560 0.97 KMT2A (0.40) KMT2ATLR2TLR1MDM4TP53
SCHEMBL22271686 0.95 KMT2A (0.39) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20013144 0.94 TLR2 (0.42) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20013276 0.92 KMT2A (0.42) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20009555 0.91 TLR2 (0.40) KMT2ATLR2TLR1MDM4TP53
SCHEMBL17751720 0.91 TLR2 (0.40) KMT2ATLR2TLR1MDM4TP53
SCHEMBL22199740 0.89 KMT2A (0.48) KMT2ATLR2TLR1MDM4TP53
SCHEMBL22271557 0.89 TLR2 (0.39) KMT2ATLR2TLR1MDM4TP53
SCHEMBL20013283 0.88 KMT2A (0.43) KMT2ATLR2TLR1MDM4TP53

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-10633419-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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 (2 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-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885TLR2 91/4885TLR1 134/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885TLR2 91/4885TLR1 134/4885

“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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