SCHEMBL20021566

SCHEMBL20021566

CC(C)C(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MME P08473 8/20 0.50
ACE P12821 4/20 0.50
CPA1 P15085 4/20 0.50
ACE2 Q9BYF1 4/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 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
SCHEMBL22178675 1.00 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL22427640 0.86 L3MBTL1 (0.50) MMEACEACE2NPC1RAB9A
SCHEMBL24200453 0.85 TSHR (0.50) ALDH1A1CYP2C9CYP2C19MMEACE
SCHEMBL683352 0.84 NPSR1 (0.55) MMEACEACE2NPC1RAB9A
SCHEMBL1627622 0.84 CTSS (0.58) ALDH1A1NPC1RAB9A
SCHEMBL684246 0.84 NPSR1 (0.55) MMEACEACE2NPC1RAB9A
SCHEMBL12864507 0.84 MME (0.69) MMEACECPA1ACE2MMP2
SCHEMBL8510053 0.84 MME (0.69) MMEACECPA1ACE2MMP2
SCHEMBL8510050 0.84 MME (0.69) MMEACECPA1ACE2MMP2
SCHEMBL17323639 0.83 MMP2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 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 (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-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 ALDH1A1 3825/4885THRB 127/4885CYP2C9 4799/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A ALDH1A1 3127/4885THRB 815/4885CYP2C9 4859/4885

“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.