SCHEMBL4749029

SCHEMBL4749029

CC(C)(C)OC(=O)NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
NAMPT P43490 2/20 0.46
SRD5A2 P31213 1/20 0.46
NR1H4 Q96RI1 3/20 0.44
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NFKB1 P19838 1/20 0.41

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
SCHEMBL21584892 0.89 EPHX1 (0.54) EPHX1TSHRRAB9AKMT2AALDH1A1
SCHEMBL15588634 0.84 MEN1 (0.46) MAPTNAMPTEPHX2TP53RAB9A
SCHEMBL27449503 0.84 MAPT (0.53) MAPTNAMPTTSHRRAB9AALDH1A1
SCHEMBL25558146 0.84 RAB9A (0.51) MAPTNAMPTEPHX1RAB9AKMT2A
SCHEMBL10603751 0.84 NAMPT (0.45) MAPTNAMPTEPHX1TSHRRAB9A
SCHEMBL617014 0.83 MAPT (0.52) MAPTSRD5A2NR1H4EPHX2TP53
SCHEMBL3662421 0.81 F10 (0.53) MAPTNAMPTNR1H4RAB9AKMT2A
SCHEMBL4098188 0.81 CYP17A1 (0.51) NAMPTTP53KMT2AALDH1A1PKM
SCHEMBL1457556 0.80 PRSS1 (0.49) EPHX2RAB9AKMT2ACA1CA2
SCHEMBL22461360 0.80 NAMPT (0.65) MAPTNAMPTNR1H4EPHX2TP53

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 MAPT 4253/4885NAMPT 875/4885SRD5A2 1040/4885

“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.