Sugi Predict

Sugi Predict / Compounds / SCHEMBL12372482

SCHEMBL12372482

SCHEMBL12372482

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.78
▸ KCNH2 Q12809 4/20 0.78
▸ SLCO1B3 Q9NPD5 3/20 0.78
▸ SLCO1B1 Q9Y6L6 3/20 0.78
▸ ABCB1 P08183 2/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ AR P10275 1/20 0.78
▸ PGR P06401 1/20 0.77
▸ HTR1A P08908 1/20 0.77
▸ DRD1 P21728 1/20 0.77
▸ SLC6A2 P23975 1/20 0.77
▸ OPRM1 P35372 1/20 0.77
▸ DRD3 P35462 1/20 0.77
▸ SLC6A3 Q01959 1/20 0.77
▸ USP2 O75604 2/20 0.73
▸ MLNR O43193 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ ALB P02768 1/20 0.72

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
SCHEMBL14010007 1.00 CYP3A4 (0.78) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL17300551 1.00 CYP3A4 (0.78) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL19901485 1.00 CYP3A4 (0.78) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL10218413 0.97 CYP3A4 (0.77) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL13722848 0.97 CYP3A4 (0.77) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL14022608 0.96 CYP3A4 (0.84) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL14030397 0.96 CYP3A4 (0.84) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL14030291 0.96 CYP3A4 (0.84) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL19360836 0.96 CYP3A4 (0.84) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1
SCHEMBL12832380 0.96 CYP3A4 (0.84) CYP3A4KCNH2SLCO1B3SLCO1B1ABCB1

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-7989600-B2 Bioconjugation; drug screening GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. 2011-08-02 — — US disclosed
US-7989600-B2 Bioconjugation; drug screening GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. 2011-08-02 — — US disclosed
US-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-10-02 — — US disclosed
US-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-10-02 — — 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-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification BTD, HLCS, MRPL12 CYP3A4 1030/4885KCNH2 1952/4885SLCO1B3 3559/4885

“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.