SCHEMBL17751711

SCHEMBL17751711

Cc1ccc(C(OC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ MDM2 Q00987 3/20 0.38
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17751720 0.92 TLR2 (0.40) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL20009555 0.92 TLR2 (0.40) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL22199740 0.91 KMT2A (0.48) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL20013144 0.88 TLR2 (0.42) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL15893676 0.88 TLR2 (0.45) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL17751704 0.88 MDM4 (0.43) TLR2MDM2MDM4TP53
SCHEMBL20009559 0.86 KMT2A (0.40) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL20009560 0.86 KMT2A (0.40) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL16539155 0.86 TLR2 (0.52) TLR2KMT2ATLR1MDM2MDM4
SCHEMBL17746964 0.86 TLR2 (0.52) TLR2KMT2ATLR1MDM2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — US disclosed
US-9856292-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-02 — — US disclosed
US-20160137696-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-05-19 — — 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-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 TLR2 91/4885KMT2A 3513/4885TLR1 134/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 TLR2 91/4885KMT2A 3513/4885TLR1 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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