SCHEMBL5887595

SCHEMBL5887595

CC(C)(C)OC(=O)C(Cc1ccc(Br)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.59
CTSK P43235 5/20 0.56
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.55
CTSB P07858 3/20 0.55
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
TACR1 P25103 2/20 0.53
SYK P43405 1/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5887598 1.00 P2RX7 (0.59) P2RX7CTSKCTSSCTSLCTSB
SCHEMBL19485480 0.93 CTSK (0.62) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL9219338 0.93 CTSK (0.62) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL3439255 0.91 CTSS (0.62) P2RX7CTSKCTSSCTSLCTSB
SCHEMBL5887477 0.91 CTSS (0.62) P2RX7CTSKCTSSCTSLCTSB
SCHEMBL9995844 0.91 CTSK (0.60) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL2058584 0.91 CTSK (0.60) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL15018841 0.91 CTSK (0.60) CTSKCTSSCTSLCTSBALDH1A1
Water SCHEMBL15019511 0.89 CTSS (0.62) CTSKCTSSCTSLCTSBALDH1A1
Water SCHEMBL15019510 0.89 CTSS (0.62) CTSKCTSSCTSLCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH P2RX7 4516/4885CTSK 2430/4885CTSS 1702/4885

“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.