Verticillin B

Verticillin B

SCHEMBL5894069

CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1([C@@]12c4ccccc4N[C@H]1N1C(=O)[C@@]4(CO)SS[C@@]1(C(=O)N4C)[C@@H]2O)[C@@H]3O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.82
▸ EHMT2 Q96KQ7 13/20 0.57
▸ EP300 Q09472 6/20 0.57
▸ HIF1A Q16665 5/20 0.57
▸ SUV39H1 O43463 4/20 0.57
▸ NSD2 O96028 1/20 0.57
▸ TXNRD1 Q16881 1/20 0.57
▸ NSD1 Q96L73 1/20 0.57
▸ NSD3 Q9BZ95 1/20 0.57
▸ CREBBP Q92793 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ RNF31 Q96EP0 1/20 0.37
▸ RBCK1 Q9BYM8 1/20 0.37
▸ SHARPIN Q9H0F6 1/20 0.37

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
Verticillin B SCHEMBL17975438 1.00 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin B SCHEMBL21497282 1.00 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
Melinacidin Iv SCHEMBL30713080 0.96 KMT2A (0.74) KMT2AEHMT2EP300HIF1ASUV39H1
Melinacidin Iv SCHEMBL19275171 0.96 KMT2A (0.74) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL29623437 0.92 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL19275302 0.91 KMT2A (0.81) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin A SCHEMBL18294765 0.91 KMT2A (1.00) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin A SCHEMBL29623144 0.91 KMT2A (1.00) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin A SCHEMBL19275238 0.91 KMT2A (1.00) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin A SCHEMBL15791200 0.91 KMT2A (1.00) KMT2AEHMT2EP300HIF1ASUV39H1

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
WO-2012161799-A1 EPIDITHIODIOXOPIPERAZINES AND USES THEREOF IN TREATING CANCER GEORGIA HEALTH SCIENCES UNIVERSITY RESEARCH INSTITUTE, INC (US) 2012-11-29 — — WO claimed
US-20120219568-A1 EPIDITHIODIOXOPIPRAZINES AND USES THEREOF IN TREATING CANCER ZHEJIANG UNIVERSITY 2012-08-30 — — US claimed
WO-2012161799-A1 EPIDITHIODIOXOPIPERAZINES AND USES THEREOF IN TREATING CANCER GEORGIA HEALTH SCIENCES UNIVERSITY RESEARCH INSTITUTE, INC (US) 2012-11-29 — — WO disclosed
US-20120219568-A1 EPIDITHIODIOXOPIPRAZINES AND USES THEREOF IN TREATING CANCER ZHEJIANG UNIVERSITY 2012-08-30 — — US disclosed
US-20060068460-A1 Biochemical synthesis apparatus BIODIVERSITY LIMITED 2006-03-30 — — US disclosed
US-6991919-B1 Biochemical synthesis apparatus BIODIVERSITY LIMITED (GB) 2006-01-31 — — 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-20120219568-A1 EPIDITHIODIOXOPIPRAZINES AND USES THEREOF IN TREATING CANCER TOP2A, EI24, BAD KMT2A 3006/4885EHMT2 2639/4885EP300 1341/4885

“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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