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SCHEMBL16017899

SCHEMBL16017899

CC(C)(C)OC(=O)N[C@H](CC(=O)OCOC(=O)C(C)(C)C)CC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.40
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CTSK P43235 7/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSS P25774 3/20 0.33
▸ SYK P43405 1/20 0.33
▸ APLNR P35414 1/20 0.33

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
SCHEMBL16017796 0.82 CYP1A2 (0.42) CYP2D6CA1CA2CA7CTSK
SCHEMBL16017792 0.79 CYP1A2 (0.42) CYP2D6CA1CA2CA7CTSK
SCHEMBL22866107 0.77 CYP1A2 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL16020460 0.77 CYP2D6 (0.41) CYP2D6CA1CA2CA7CTSK
SCHEMBL4408873 0.75 CYP2D6 (0.50) CYP2D6CA1CA2CA7CTSK
SCHEMBL19209667 0.75 CA1 (0.45) CYP2D6CA1CA2CA7CTSK
SCHEMBL19944669 0.75 CYP1A2 (0.52) CYP2D6CA1CA2CA7CTSK
SCHEMBL16017904 0.73 CYP1A2 (0.40) CYP2D6CA1CA2CA7CTSK
SCHEMBL18428106 0.72 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL16017850 0.72 PRKCA (0.36) —

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
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 — — 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 (6 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP CYP2D6 101/4885CA1 1797/4885CA2 757/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 CYP2D6 102/4885CA1 3368/4885CA2 2206/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 CYP2D6 210/4885CA1 2586/4885CA2 1831/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE CYP2D6 206/4885CA1 3449/4885CA2 1706/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 CYP2D6 78/4885CA1 1054/4885CA2 1044/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 CYP2D6 180/4885CA1 1241/4885CA2 540/4885

“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.