Calyculin A

Calyculin A

SCHEMBL21408822

COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@H]2O[C@@]3(C[C@H](O)[C@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 1.00
▸ PPP6C O00743 1/20 1.00
▸ PPP1CC P36873 1/20 1.00
▸ HTT P42858 1/20 1.00
▸ PPP5C P53041 1/20 1.00
▸ PPP2CA P67775 1/20 1.00
▸ PPP2R5A Q15172 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00

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
Calyculin A SCHEMBL4295478 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL82924 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin B SCHEMBL29809573 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL4299349 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL82925 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin A SCHEMBL29406338 1.00 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
SCHEMBL15919331 0.95 PTPN1 (0.91) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL1443597 0.94 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL29536011 0.94 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C
Calyculin SCHEMBL4291014 0.94 PTPN1 (1.00) PTPN1PPP6CPPP1CCHTTPPP5C

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
CN-117305224-A Method for obtaining definitive endoderm cells from human pluripotent stem cells by differentiation using myosin activator or Piezo1 activator 武汉大学 2023-12-29 — — CN disclosed
US-20210095288-A1 METHODS OF MODULATING NKX6.3 NESTLE SA (CH) 2021-04-01 — — US disclosed
EP-3773571-A1 PREVENTION OR TREATMENT OF CHRONIC ORGAN INJURY Georg-August-Universitaet Goettingen Stiftung Oeffentlichen Rechts, Universitaetsmedizin (DE) 2021-02-17 — — EP disclosed
US-20210008044-A1 PREVENTION OR TREATMENT OF CHRONIC ORGAN INJURY GEORG-AUGUST-UNIVERSITAET GOETTINGEN, STIFTUNG OEFFENTLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2021-01-14 — — US disclosed
CN-112088216-A Methods of modulating NKX6.3 雀巢产品有限公司 2020-12-15 — — CN disclosed
WO-2019185708-A1 PREVENTION OR TREATMENT OF CHRONIC ORGAN INJURY GEORG-AUGUST-UNIVERSITAET GOETTINGEN, STIFTUNG OEFFENTLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2019-10-03 — — 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 (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-20210008044-A1 PREVENTION OR TREATMENT OF CHRONIC ORGAN INJURY FKBP2, DUSP3, FKBP1A PTPN1 202/4885PPP6C 31/4885PPP1CC 414/4885

“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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