SCHEMBL400755

SCHEMBL400755

Cc1cc(Br)c(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL22774379 0.86 CA1 (0.44) LCKCA1CA2MEN1NPC1
SCHEMBL15302205 0.84 CA1 (0.43) LCKCA1CA2MEN1NPC1
SCHEMBL2998593 0.80 PTPN2 (0.43) LCKCA1CA2MEN1NPC1
SCHEMBL18607017 0.80 ALDH1A1 (0.39) LCKCA1CA2CA12CA9
SCHEMBL30590426 0.80 SMN1; SMN2 (0.40) LCKCA1CA2MEN1HTT
SCHEMBL2824619 0.80 NPSR1 (0.45) LCKMEN1NPC1HTTRAB9A
SCHEMBL861282 0.80 LCK (0.40) LCKCA1CA2MEN1NPC1
SCHEMBL22775314 0.78 LCK (0.43) LCKCA1CA2CA12CA9
SCHEMBL1006666 0.78 ALDH1A1 (0.38) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30590407 0.78 LCK (0.40) LCKCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 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 (2 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO LCK 316/4885CA1 4645/4885CA2 3899/4885
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP LCK 1113/4885CA1 4686/4885CA2 3120/4885

“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.