SCHEMBL17751673

SCHEMBL17751673

CCCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccc(C)cc1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.46
▸ MDM2 Q00987 4/20 0.46
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TNF P01375 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 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
SCHEMBL26474537 0.99 MDM2 (0.46) TLR2MDM2MDM4TP53TNF
SCHEMBL19367953 0.95 TLR2 (0.43) TLR2MDM2MDM4TP53TNF
SCHEMBL17760889 0.93 TLR2 (0.46) TLR2MDM2MDM4TP53TNF
SCHEMBL18161126 0.90 TLR2 (0.43) TLR2MDM2MDM4TP53
SCHEMBL18161129 0.89 TLR2 (0.44) TLR2MDM2MDM4TP53
SCHEMBL15893676 0.89 TLR2 (0.45) TLR2MDM2MDM4TP53
SCHEMBL15761355 0.87 MDM4 (0.44) MDM2MDM4TP53
SCHEMBL17751704 0.87 MDM4 (0.43) TLR2MDM2MDM4TP53
SCHEMBL8242447 0.86 MDM4 (0.43) TLR2MDM2MDM4TP53
SCHEMBL31591662 0.86 MDM2 (0.42) TLR2MDM2MDM4TP53HDAC1

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 91/4885MDM2 967/4885MDM4 672/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 TLR2 91/4885MDM2 967/4885MDM4 672/4885

“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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