SCHEMBL20764571

SCHEMBL20764571

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PPARD Q03181 3/20 0.39
▸ NR1H4 Q96RI1 3/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ HSPH1 Q92598 1/20 0.36

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
SCHEMBL20764573 1.00 P2RY14 (0.39) P2RY14PPARGPPARDNR1H4PPARA
SCHEMBL20764478 0.92 MITF (0.43) NPC1RAB9AMMP2
SCHEMBL20764475 0.92 MITF (0.43) NPC1RAB9AMMP2
SCHEMBL20764481 0.92 MEN1 (0.44) NPC1RAB9AMMP2
SCHEMBL22076696 0.92 MMP2 (0.38) NPC1MMP2
SCHEMBL22076698 0.92 MMP2 (0.38) NPC1MMP2
SCHEMBL20764482 0.92 MEN1 (0.44) NPC1RAB9AMMP2
SCHEMBL20764430 0.91 ALDH1A1 (0.43) NPC1RAB9AMMP2
SCHEMBL20764599 0.91 CACNA1B (0.37) MMP2
SCHEMBL20764477 0.91 MEN1 (0.37) NPC1RAB9AMMP2

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-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 P2RY14 1635/4885PPARG 1717/4885PPARD 569/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 P2RY14 1703/4885PPARG 2180/4885PPARD 660/4885

“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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