SCHEMBL9287286

SCHEMBL9287286

Cc1c(Cl)c(C(CO)CO)c(Br)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
GLRA1 P23415 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BAK1 Q16611 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
POLB P06746 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
SCHEMBL9278579 0.88 PTPN1 (0.38) PTPN1THRATHRBPRKCAPRKCD
SCHEMBL18525117 0.88 PTPN1 (0.40) PTPN1MRGPRX4THRATHRBGLRA1
SCHEMBL9284205 0.88 PTPN1 (0.42) PTPN1MRGPRX4PRKCAPRKCDGLRA1
SCHEMBL9284201 0.84 PTPN1 (0.40) PTPN1MRGPRX4THRATHRBGLRA1
SCHEMBL9287344 0.83 PTPN1 (0.40) PTPN1THRATHRBLMNAHPGD
SCHEMBL18525331 0.81 PTPN1 (0.39) PTPN1THRATHRBGLRA1LMNA
SCHEMBL18750612 0.80 PTPN1 (0.40) PTPN1PRKCAPRKCDGLRA1LMNA
SCHEMBL12109550 0.79 PTPN1 (0.35) PTPN1THRATHRBGLRA1LMNA
SCHEMBL12108742 0.78 PTPN1 (0.42) PTPN1MRGPRX4THRATHRBGLRA1
SCHEMBL9279670 0.78 LMNA (0.39) PTPN1THRATHRBGLRA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885MRGPRX4 4727/4885THRA 256/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A PTPN1 402/4885MRGPRX4 4727/4885THRA 256/4885

“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.