SCHEMBL17453189

SCHEMBL17453189

COC(=O)[C@@H](NC(=O)c1ccc2cc(C#C[C@H]3C[C@@H]3CO)ccc2c1)C(C)(C)N

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.32
▸ TAS1R3 Q7RTX0 6/20 0.32
▸ TAS1R1 Q7RTX1 6/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ PLAU P00749 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ P2RY6 Q15077 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL19102808 1.00 PIN1 (0.32) PIN1TAS1R3TAS1R1HPGDSPLAU
SCHEMBL19102805 1.00 PIN1 (0.32) PIN1TAS1R3TAS1R1HPGDSPLAU
SCHEMBL17451860 1.00 PIN1 (0.32) PIN1TAS1R3TAS1R1HPGDSPLAU
SCHEMBL18100459 1.00 PIN1 (0.32) PIN1TAS1R3TAS1R1HPGDSPLAU
SCHEMBL17435817 1.00 PIN1 (0.32) PIN1TAS1R3TAS1R1HPGDSPLAU
SCHEMBL19756326 0.94 PIN1 (0.32) PIN1PLAUPLAT
SCHEMBL13832175 0.91 ACACB (0.34) P2RY6
SCHEMBL17435716 0.89 ADAM17 (0.35) PIN1
SCHEMBL17435718 0.89 ADAM17 (0.35) PIN1
SCHEMBL19102697 0.89 ADAM17 (0.35) PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS PIN1 1074/4885TAS1R3 4049/4885TAS1R1 3410/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS PIN1 1074/4885TAS1R3 4049/4885TAS1R1 3410/4885

“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.

Send feedback