SCHEMBL8522871

SCHEMBL8522871

COC(=O)[C@@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
ACE P12821 5/20 0.50
GPR88 Q9GZN0 1/20 0.50
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SRR Q9GZT4 2/20 0.48
PSAT1 Q9Y617 2/20 0.48
ANPEP P15144 1/20 0.46

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
SCHEMBL20583647 1.00 MME (0.50) MMEACEGPR88HDAC1HDAC6
SCHEMBL20583645 1.00 MME (0.50) MMEACEGPR88HDAC1HDAC6
SCHEMBL20583644 1.00 MME (0.50) MMEACEGPR88HDAC1HDAC6
SCHEMBL3044859 0.91 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL29077049 0.91 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL1531738 0.91 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL1531741 0.91 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL13386099 0.91 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL1531689 0.90 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL1531688 0.90 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532673-A2 Tubulysine derivatives R & D Biopharmaceuticals Gmbh (DE) 2012-12-12 EP disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 US disclosed
WO-2008138561-A1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2008-11-20 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 (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-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 MME 349/4885ACE 2670/4885GPR88 635/4885

“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.