SCHEMBL13029942

SCHEMBL13029942

CCC(C)[C@H](NC(=O)COCCOCCNC(=O)[C@@H](N)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 1/20 0.40
▸ TEAD3 Q99594 1/20 0.40
▸ KDM1A O60341 2/20 0.38
▸ RCOR1 Q9UKL0 2/20 0.38
▸ F2RL1 P55085 2/20 0.37
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MSTN O14793 1/20 0.36
▸ KRAS P01116 5/20 0.35
▸ HRAS P01112 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ F12 P00748 1/20 0.35
▸ YWHAZ P63104 1/20 0.35

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
SCHEMBL13029979 0.96 TEAD4 (0.39) TEAD4TEAD3KDM1ARCOR1F2RL1
SCHEMBL18516776 0.91 F2RL1 (0.40) TEAD4TEAD3KDM1ARCOR1F2RL1
SCHEMBL13029985 0.80 TEAD4 (0.38) TEAD4TEAD3KDM1ARCOR1SSTR1
SCHEMBL18033736 0.73 KCNA3 (0.44) —
SCHEMBL21973224 0.73 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL29875816 0.73 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL16021588 0.73 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL13029975 0.70 KCNA3 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13029983 0.69 MDM2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13029970 0.67 MDM2 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5

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-9394371-B2 Antibody-mediated disruption of quorum sensing in bacteria THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-19 — — US disclosed
US-20100291093-A1 ANTIBODY-MEDIATED DISRUPTION OF QUORUM SENSING IN BACTERIA THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-18 — — 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-20100291093-A1 ANTIBODY-MEDIATED DISRUPTION OF QUORUM SENSING IN BACTERIA CD47, BCR, TLR5 TEAD4 2819/4885TEAD3 3162/4885KDM1A 1606/4885

“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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