SCHEMBL13817857

SCHEMBL13817857

CO[C@H]1C[C@@H](C)C/C(C)=C/[C@@H](C/C=C/c2ccccc2)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.83
FKBP4 Q02790 2/20 0.83
PPP3CA Q08209 2/20 0.83
ABCB11 O95342 2/20 0.83
ADORA3 P0DMS8 2/20 0.83
MLNR O43193 1/20 0.83
NR1I2 O75469 1/20 0.83
CYP3A4 P08684 1/20 0.83
ADRA2A P08913 1/20 0.83
ADRB3 P13945 1/20 0.83
CYP3A5 P20815 1/20 0.83
TBXA2R P21731 1/20 0.83
CYP3A7 P24462 1/20 0.83
HTR2A P28223 1/20 0.83
HTR2B P41595 1/20 0.83
MTOR P42345 1/20 0.83
FKBP1B P68106 1/20 0.83
SLC6A3 Q01959 1/20 0.83
FKBP5 Q13451 1/20 0.83
SCN5A Q14524 1/20 0.83

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
SCHEMBL13817850 0.95 FKBP1A (0.82) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL15258615 0.95 FKBP1A (0.80) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL21728972 0.95 FKBP1A (0.80) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL18233842 0.95 FKBP1A (0.80) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL25083214 0.95 FKBP1A (0.81) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL15299563 0.94 FKBP1A (0.80) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL16907068 0.94 FKBP1A (0.91) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL9696142 0.94 FKBP1A (0.82) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL18233848 0.93 FKBP1A (0.79) FKBP1AFKBP4PPP3CAABCB11ADORA3
SCHEMBL13817933 0.93 FKBP1A (0.89) FKBP1AFKBP4PPP3CAABCB11ADORA3

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 11 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
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 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 (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 997/4885FKBP4 807/4885PPP3CA 2546/4885
US-10568872-B2 Antifungal compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885FKBP4 807/4885PPP3CA 2546/4885
US-20190000814-A1 Antifungal Compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885FKBP4 807/4885PPP3CA 2546/4885
US-11000514-B2 Antifungal compounds ERG28, DPM1, CYP51A1 FKBP1A 997/4885FKBP4 807/4885PPP3CA 2546/4885
US-20200188364-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 FKBP1A 997/4885FKBP4 807/4885PPP3CA 2546/4885

“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.