Sugi Predict

Sugi Predict / Compounds / SCHEMBL16017904

SCHEMBL16017904

SCHEMBL16017904

CC(C)(C)OC(=O)NC(COC(=O)CCC(=O)C(C)(C)C)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTSK P43235 7/20 0.36
▸ CTSS P25774 4/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ PPARA Q07869 1/20 0.32
▸ CACNA1B Q00975 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ACE P12821 1/20 0.32

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
SCHEMBL16017806 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16019694 0.83 L3MBTL1 (0.33) —
SCHEMBL16017796 0.82 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16020413 0.80 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16024177 0.79 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16017768 0.77 PRKCA (0.36) ALDH1A1MAPT
SCHEMBL16017782 0.75 PRKCA (0.34) —
SCHEMBL16017792 0.74 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL19209667 0.73 CA1 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL16017899 0.73 CYP2D6 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK

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 5 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-20140256696-A1 Steroid conjugates 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-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256658-A1 Antibiotic 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 (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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP CYP1A2 135/4885CYP2C9 73/4885CYP2C19 62/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 CYP1A2 79/4885CYP2C9 107/4885CYP2C19 52/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 CYP1A2 198/4885CYP2C9 233/4885CYP2C19 149/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE CYP1A2 331/4885CYP2C9 293/4885CYP2C19 224/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 CYP1A2 56/4885CYP2C9 76/4885CYP2C19 57/4885

“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.