SCHEMBL3621683

SCHEMBL3621683

CC(C)(C)OC(=O)N(c1ccccc1)[C@](C)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
KCNN4 O15554 1/20 0.35
CHRM3 P20309 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL27221203 1.00 KMT2A (0.39) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL2460578 1.00 KMT2A (0.39) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL29469511 0.85 MEN1 (0.38) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL3594428 0.81 CYP2C19 (0.41) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL4799382 0.80 KMT2A (0.40) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL8475780 0.80 CYP2C19 (0.41) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL7468842 0.80 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7468837 0.80 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5559017 0.79 MEN1 (0.39) KMT2AMEN1RAB9ANPSR1CYP2C19
SCHEMBL18751773 0.76 NPSR1 (0.37) KMT2AMEN1RAB9ANPSR1CYP2C19

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-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 KMT2A 1501/4885MEN1 2771/4885RAB9A 540/4885

“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.