SCHEMBL3023009

SCHEMBL3023009

COC(=O)c1ccc(C#CC=Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PTPN11 Q06124 1/20 0.49
RAB9A P51151 6/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL3023006 1.00 TSHR (0.50) TSHRCA1CA2PTPN11RAB9A
SCHEMBL3001937 0.94 TSHR (0.50) TSHRCA1CA2PTPN11RAB9A
SCHEMBL3001941 0.94 TSHR (0.50) TSHRCA1CA2PTPN11RAB9A
SCHEMBL14714696 0.87 ALDH1A1 (0.64) TSHRCA1CA2PTPN11RAB9A
SCHEMBL14714884 0.87 ALDH1A1 (0.64) TSHRCA1CA2PTPN11RAB9A
SCHEMBL14714887 0.87 ALDH1A1 (0.64) TSHRCA1CA2PTPN11RAB9A
SCHEMBL14714697 0.87 ALDH1A1 (0.64) TSHRCA1CA2PTPN11RAB9A
SCHEMBL3007456 0.86 MAPT (0.46) CA1CA2PTPN11MAPTALDH1A1
SCHEMBL3007461 0.86 MAPT (0.46) CA1CA2PTPN11MAPTALDH1A1
SCHEMBL3007827 0.85 ALDH1A1 (0.45) PTPN11RAB9AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TSHR 4087/4885CA1 4310/4885CA2 3489/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TSHR 4087/4885CA1 4310/4885CA2 3489/4885

“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.