SCHEMBL5229823

SCHEMBL5229823

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC7A5 Q01650 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PTGES O14684 1/20 0.34
BRD4 O60885 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL28276942 1.00 CTSB (0.37) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL31320985 0.86 CTSB (0.36) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL6799668 0.85 CYP3A4 (0.41) ALDH1A1SLC7A5MEN1KMT2AKDM4E
SCHEMBL642839 0.84 SMN1; SMN2 (0.41) ALDH1A1HSD17B10SLC7A5SMN1; SMN2MEN1
SCHEMBL9382586 0.84 SMN1; SMN2 (0.41) ALDH1A1HSD17B10SLC7A5SMN1; SMN2MEN1
SCHEMBL6207126 0.84 HDAC1 (0.39) CTSSCTSKALDH1A1SLC7A5MEN1
SCHEMBL1208677 0.83 SMN1; SMN2 (0.37) CTSSCTSKAAK1ALDH1A1SMN1; SMN2
SCHEMBL2174292 0.83 AAK1 (0.36) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL2171679 0.83 AAK1 (0.38) CTSBCTSSCTSKMTNR1AMTNR1B
SCHEMBL7720053 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed
EP-1490371-A4 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-22 EP disclosed
US-6933294-B2 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-23 US disclosed
EP-1490371-A1 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-12-29 EP disclosed
US-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2004-03-25 US disclosed
WO-2003084959-A1 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-16 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-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same ABCG2, PFAS, CYP2F1 CTSB 890/4885CTSS 461/4885CTSK 535/4885

“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.