Sugi Predict

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SCHEMBL8084907

SCHEMBL8084907

NCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.64
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ ABCB11 O95342 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ ST14 Q9Y5Y6 1/20 0.53
▸ CYP2C8 P10632 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
Hydrochloric Acid SCHEMBL2192401 0.99 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8098336 0.98 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8102794 0.97 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2189599 0.97 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2191039 0.97 F10 (0.62) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL12415558 0.96 F10 (0.66) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3075487 0.95 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8091949 0.94 F10 (0.63) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8098526 0.93 F10 (0.62) F10CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8085897 0.92 F10 (0.58) F10CYP3A4CYP2C9CYP1A2CYP2D6

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-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 — — US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 — — US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 — — US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 — — US disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 — — WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 — — 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 (2 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-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT F10 126/4885CYP3A4 145/4885CYP2C9 14/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT F10 735/4885CYP3A4 65/4885CYP2C9 17/4885

“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.