SCHEMBL5887508

SCHEMBL5887508

COC(=O)C(Cc1ccc(Br)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
ALOX15 P16050 1/20 0.65
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
CYP3A4 P08684 3/20 0.58
TSHR P16473 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM1A O60341 1/20 0.58
TACR1 P25103 2/20 0.57
KYNU Q16719 1/20 0.57

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
SCHEMBL5887509 1.00 ALDH1A1 (0.65) ALDH1A1ALOX15HDAC1HDAC6CTSL
SCHEMBL5887381 0.92 TACR1 (0.60) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL5887384 0.92 TACR1 (0.60) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7151822 0.92 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL329686 0.92 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL14884560 0.91 ALDH1A1 (0.58) ALDH1A1ALOX15HDAC1HDAC6CTSL
Hydrochloric Acid SCHEMBL7928050 0.91 ALDH1A1 (0.72) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL5887286 0.90 CTSL (0.57) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL5887289 0.90 CTSL (0.57) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL2975870 0.90 ITGB3 (0.63) ALDH1A1ALOX15CTSLCTSBCTSS

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 ALDH1A1 1622/4885ALOX15 3612/4885HDAC1 1726/4885

“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.