SCHEMBL17280899

SCHEMBL17280899

C=C[C@H](NC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
CTRB1 P17538 2/20 0.51
ATM Q13315 1/20 0.51
CTSL P07711 5/20 0.50
CTSB P07858 2/20 0.50
MBOAT4 Q96T53 1/20 0.50
CTSK P43235 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 1/20 0.48
ELANE P08246 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
SCHEMBL22747610 0.89 MBOAT4 (0.58) ALDH1A1ALOX15CTRB1ATMMBOAT4
SCHEMBL930561 0.89 MBOAT4 (0.58) ALDH1A1ALOX15CTRB1ATMMBOAT4
SCHEMBL930559 0.89 MBOAT4 (0.58) ALDH1A1ALOX15CTRB1ATMMBOAT4
SCHEMBL14769904 0.88 CTRB1 (0.54) CTRB1ATMMBOAT4CTSKLMNA
SCHEMBL22118319 0.88 CTRB1 (0.54) CTRB1ATMMBOAT4CTSKLMNA
SCHEMBL7372388 0.88 CTRB1 (0.54) CTRB1ATMMBOAT4CTSKLMNA
SCHEMBL8173806 0.88 CTRB1 (0.54) CTRB1ATMMBOAT4CTSKLMNA
SCHEMBL8232784 0.86 MBOAT4 (0.51) CTRB1ATMCTSLCTSBMBOAT4
SCHEMBL29014283 0.84 SYK (0.57) CTRB1ATMCTSLCTSBMBOAT4
SCHEMBL25875351 0.84 SYK (0.57) CTRB1ATMCTSLCTSBMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336915-A1 STRUCTURES OF PROTEASOME INHIBITORS AND METHODS FOR SYNTHESIZING AND USE THEREOF PONO CORPORATION 2015-11-26 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-20150336915-A1 STRUCTURES OF PROTEASOME INHIBITORS AND METHODS FOR SYNTHESIZING AND USE THEREOF PSMB1, PSMB11, PSMB2 ALDH1A1 4037/4885ALOX15 3624/4885CTRB1 85/4885

“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.