SCHEMBL1638962

SCHEMBL1638962

CC(=O)c1cc(C(=O)O)cc(Br)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.67
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C1 Q04828 2/20 0.50
TPMT P51580 2/20 0.47
PTPN1 P18031 3/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13449170 0.88 TTR (0.48) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL21545149 0.82 TTR (0.58) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL21438414 0.82 TTR (0.58) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL28515652 0.82 TTR (0.58) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL1114408 0.81 TTR (1.00) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL27361398 0.81 TTR (0.50) TTRAKR1C3AKR1C2TPMTCA12
SCHEMBL12724992 0.80 TTR (0.41) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL1639428 0.80 KDM4E (0.52) TTRTPMTPTPN1CA12CA1
SCHEMBL13449165 0.80 LMNA (0.42) TTRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL6969296 0.78 HMGB1 (0.47) TTRAKR1C3AKR1C2TPMTCA12

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718800-B2 Chromenone derivatives ASTRAZENECA AB (SE) 2017-08-01 US disclosed
US-9718800-B2 Chromenone derivatives ASTRAZENECA AB (SE) 2017-08-01 US disclosed
US-9718800-B2 Chromenone derivatives ASTRAZENECA AB (SE) 2017-08-01 US disclosed
US-20160272607-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-09-22 US disclosed
US-20160272607-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-09-22 US disclosed
US-20160272607-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-09-22 US disclosed
US-20160060240-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-03-03 US disclosed
US-20160060240-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-03-03 US disclosed
US-20160060240-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2016-03-03 US disclosed
EP-2697220-B1 CHROMENONE COMPOUNDS AS PI 3-KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2016-01-13 EP disclosed
US-20120264731-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2012-10-18 US disclosed
WO-2012140419-A1 CHROMENONE COMPOUNDS AS PI 3 -KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-10-18 WO disclosed
US-20120264731-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2012-10-18 US disclosed
CN-102712615-A Chromenone Derivatives with Antitumor Activity ASTRAZENECA AB 2012-10-03 CN disclosed
EP-2493870-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2012-09-05 EP disclosed
WO-2011051704-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2011-05-05 WO disclosed
WO-2011051704-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2011-05-05 WO disclosed
US-20110098271-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2011-04-28 US disclosed
US-20110098271-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2011-04-28 US disclosed
US-20110098271-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2011-04-28 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 (4 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-20110098271-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND3 TTR 2584/4885AKR1C3 75/4885AKR1C2 199/4885
US-20160272607-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND3 TTR 2584/4885AKR1C3 75/4885AKR1C2 199/4885
US-20120264731-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND1 TTR 1998/4885AKR1C3 79/4885AKR1C2 175/4885
US-20160060240-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND3 TTR 2584/4885AKR1C3 75/4885AKR1C2 199/4885

“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.