SCHEMBL16907200

SCHEMBL16907200

CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CCC[C@H](OC)C3)[C@H](C)[C@@H](OC(C)=O)CC1=O)[C@H](C)C[C@@H]2OC

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 18/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ THRB P10828 1/20 0.77
▸ FKBP4 Q02790 1/20 0.77
▸ ABCB11 O95342 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75

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
SCHEMBL15872107 1.00 FKBP1A (0.77) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL15872099 0.95 FKBP1A (0.84) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL18233883 0.94 FKBP1A (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL437534 0.93 FKBP1A (0.81) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL437462 0.93 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL436555 0.92 ABCB11 (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL439484 0.92 ABCB11 (0.88) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL469099 0.91 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL16907274 0.90 FKBP1A (0.74) FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL13173685 0.90 FKBP1A (0.90) FKBP1AMEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000514-B2 Antifungal compounds DUKE UNIVERSITY (US) 2021-05-11 — — US disclosed
US-20200188364-A1 ANTIFUNGAL COMPOUNDS DUKE UNIVERSITY 2020-06-18 — — US disclosed
US-10568872-B2 Antifungal compounds DUKE UNIVERSITY (US) 2020-02-25 — — US disclosed
US-20190000814-A1 Antifungal Compounds AMPLYX PHARMACEUTICALS, INC. (US) 2019-01-03 — — US disclosed
US-9956207-B2 Antifungal compounds AMPLYX PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-9956207-B2 Antifungal compounds AMPLYX PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20160331730-A1 Antifungal Compounds AMPLYX PHARMACEUTICALS, INC. (US) 2016-11-17 — — US disclosed
US-20160331730-A1 Antifungal Compounds AMPLYX PHARMACEUTICALS, INC. (US) 2016-11-17 — — US disclosed
WO-2015106283-A1 ANTIFUNGAL COMPOUNDS AMPLYX PHARMACEUTICALS, INC. (US) 2015-07-16 — — 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 (5 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-20160331730-A1 Antifungal Compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885MEN1 749/4885LMNA 2924/4885
US-10568872-B2 Antifungal compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885MEN1 749/4885LMNA 2924/4885
US-20190000814-A1 Antifungal Compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885MEN1 749/4885LMNA 2924/4885
US-11000514-B2 Antifungal compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885MEN1 749/4885LMNA 2924/4885
US-20200188364-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 FKBP1A 997/4885MEN1 749/4885LMNA 2924/4885

“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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