SCHEMBL20764478

SCHEMBL20764478

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.43
▸ HDAC3 O15379 6/20 0.40
▸ NCOR2 Q9Y618 6/20 0.40
▸ HDAC1 Q13547 6/20 0.40
▸ HDAC2 Q92769 5/20 0.40
▸ USP30 Q70CQ3 5/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ FOLH1 Q04609 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
SCHEMBL20764475 1.00 MITF (0.43) MITFHDAC3NCOR2HDAC1HDAC2
SCHEMBL22076696 0.93 MMP2 (0.38) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL22076698 0.93 MMP2 (0.38) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL20764481 0.93 MEN1 (0.44) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL20764482 0.93 MEN1 (0.44) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL20764477 0.92 MEN1 (0.37) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL20764599 0.92 CACNA1B (0.37) HDAC3NCOR2HDAC1HDAC2MMP2
SCHEMBL20764473 0.92 MEN1 (0.37) HDAC3NCOR2HDAC1HDAC2NPC1
SCHEMBL20764600 0.92 CACNA1B (0.37) HDAC3NCOR2HDAC1HDAC2MMP2
SCHEMBL20764571 0.92 P2RY14 (0.39) 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 5 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
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
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN 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 MITF 4594/4885HDAC3 3912/4885NCOR2 2982/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MITF 4474/4885HDAC3 3764/4885NCOR2 3191/4885

“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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