SCHEMBL7049029

SCHEMBL7049029

O=C(NCC(C(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCCC1)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
MMP13 P45452 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
FASN P49327 1/20 0.34
ALOX5 P09917 1/20 0.34
ROCK2 O75116 1/20 0.34
C3AR1 Q16581 4/20 0.33
EPHX2 P34913 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6466282 0.89 LMNA (0.39) RAB9ACTSSLMNAMAPTALOX5
SCHEMBL7047935 0.86 LMNA (0.37) RAB9ACTSSLMNAMAPTALOX5
SCHEMBL7043453 0.84 LMNA (0.43) CTSLCTSSLMNAMAPTTSHR
SCHEMBL7045974 0.83 CTSS (0.43) CTSLCTSBCTSSLMNAMAPT
SCHEMBL6467035 0.82 LMNA (0.47) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL7468408 0.79 CTSS (0.46) RAB9AMMP13CTSLCTSBCTSS
SCHEMBL7048360 0.79 HTT (0.45) RAB9ALMNAMAPTTSHRMEN1
SCHEMBL6464160 0.78 LMNA (0.39) RAB9ALMNAMAPTALOX5EPHX2
SCHEMBL6063199 0.77 RAB9A (0.35) RAB9ACTSLCTSBCTSSKMT2A
SCHEMBL6061831 0.77 RAB9A (0.34) RAB9ACTSLCTSBCTSSMAPT

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ RAB9A 1895/4885MMP13 147/4885CTSL 18/4885

“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.