SCHEMBL7014559

SCHEMBL7014559

CC(=O)c1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
TTR P02766 1/20 0.46
TPMT P51580 4/20 0.44
CA5A P35218 3/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
NR4A1 P22736 1/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL15709749 0.91 CA5A (0.52) POLBHCAR2CA5AAKR1C3AKR1C2
SCHEMBL9350174 0.88 TPMT (0.55) TTRTPMTCA5AAKR1C3AKR1C2
SCHEMBL11762568 0.88 TPMT (0.55) TTRTPMTCA5AAKR1C3AKR1C2
SCHEMBL23501889 0.88 TTR (0.56) POLBHCAR2TTRTPMTCA5A
SCHEMBL475757 0.88 TTR (0.56) POLBHCAR2TTRTPMTCA5A
SCHEMBL27896747 0.85 TTR (0.54) POLBHCAR2TTRTPMTCA5A
SCHEMBL343284 0.85 CA5A (0.52) POLBHCAR2CA5AAKR1C3AKR1C2
Ethylene SCHEMBL28706399 0.83 TTR (0.52) POLBHCAR2TTRTPMTCA5A
SCHEMBL8361 0.83 TTR (0.56) POLBHCAR2TTRTPMTCA5A
SCHEMBL3190842 0.83 POLB (0.44) POLBHCAR2TTRTPMTCA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803921-A Preparation method of benzene-substituted pyrimidine derivative CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-07-29 CN claimed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
CN-104803921-A Preparation method of benzene-substituted pyrimidine derivative CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-07-29 CN disclosed
CN-104803921-A Preparation method of benzene-substituted pyrimidine derivative CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-07-29 CN disclosed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 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-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 POLB 2535/4885HCAR2 366/4885TTR 3535/4885

“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.