SCHEMBL1709947

SCHEMBL1709947

CNC(=O)C(C(C)C)N(C)C(=O)CCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.35
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ PHF8 Q9UPP1 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ CHRNB4 P30926 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
SCHEMBL9915023 1.00 CA1 (0.35) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL17920111 1.00 CA1 (0.35) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL19955121 0.90 KDM4C (0.40) KDM4CKDM4APHF8KDM2ACHRNB2
SCHEMBL15187247 0.85 MMP9 (0.32) —
SCHEMBL17920012 0.85 MMP9 (0.32) —
SCHEMBL17920016 0.85 MMP9 (0.32) —
SCHEMBL25919388 0.84 GAA (0.31) —
SCHEMBL16022889 0.81 ALDH1A1 (0.46) KDM4CKDM4APHF8CHRNB2CHRNA4
SCHEMBL20880284 0.81 CA1 (0.32) CA1
SCHEMBL16360268 0.79 CA1 (0.38) CA1KDM4CKDM4APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. 2016-07-14 — — US disclosed
WO-2016112321-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. (US) 2016-07-14 — — WO disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 — — US disclosed
US-20100279951-A1 METHOD OF TREATING ALLERGIC CONJUNCTIVITIS WITH CYCLOSPORIN COMPOSITIONS SAINT REGIS MOHAWK TRIBE 2010-11-04 — — 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 (3 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-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 CA1 4455/4885KDM4C 4765/4885KDM4A 4739/4885
US-20100279951-A1 METHOD OF TREATING ALLERGIC CONJUNCTIVITIS WITH CYCLOSPORIN COMPOSITIONS TSLP, CHP1, MALT1 CA1 2290/4885KDM4C 3862/4885KDM4A 4314/4885
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED CHP1, PPIB, FKBP1B CA1 2159/4885KDM4C 4602/4885KDM4A 4565/4885

“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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