SCHEMBL18516776

SCHEMBL18516776

CCC(C)[C@H](NC(=O)COCCOCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1COC(=O)[C@H](CC(C)C)NC[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
▸ F2RL1 P55085 6/20 0.40
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ RCOR1 Q9UKL0 2/20 0.34
▸ EIF4E P06730 2/20 0.34
▸ EIF4EBP1 Q13541 2/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ MSTN O14793 1/20 0.34
▸ HRAS P01112 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ NPR1 P16066 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
SCHEMBL13029979 0.95 TEAD4 (0.39) F2RL1TEAD4TEAD3SLC40A1KDM1A
SCHEMBL13029942 0.91 TEAD4 (0.40) F2RL1TEAD4TEAD3KDM1ARCOR1
SCHEMBL13029985 0.81 TEAD4 (0.38) TEAD4TEAD3SLC40A1KDM1ARCOR1
SCHEMBL13029975 0.71 KCNA3 (0.44) EIF4EEIF4EBP1SSTR1SSTR2SSTR4
SCHEMBL13029983 0.70 MDM2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL21973224 0.69 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL16021588 0.69 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL29875816 0.69 TEAD4 (0.44) TEAD4TEAD3KDM1ARCOR1KEAP1
SCHEMBL13029970 0.68 MDM2 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18033736 0.67 KCNA3 (0.44) NPR1NPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170043020-A1 ANTIBODY-MEDIATED DISRUPTION OF QUORUM SENSING IN BACTERIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 — — 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-20170043020-A1 ANTIBODY-MEDIATED DISRUPTION OF QUORUM SENSING IN BACTERIA CD47, TLR5, ANTXR2 F2RL1 2168/4885TEAD4 2895/4885TEAD3 3187/4885

“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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