SCHEMBL1300319

SCHEMBL1300319

Cc1c(Cl)c2c(c(OCc3ccccc3)c1C(=O)Oc1ccccc1)CNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
HPD P32754 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 3/20 0.35
GLRA1 P23415 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.34
MCL1 Q07820 1/20 0.34
NR4A2 P43354 1/20 0.34

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
SCHEMBL1300118 0.88 PTPN1 (0.40) PTPN1POLBLMNAHPGDUSP2
SCHEMBL1300573 0.87 PTPN1 (0.40) PTPN1POLBLMNAHPGDUSP2
SCHEMBL12280343 0.86 MAPT (0.40) LMNATSHRNPC1SMN1; SMN2MAPT
SCHEMBL1299606 0.85 PTPN1 (0.38) PTPN1HPDPOLBLMNAHPGD
SCHEMBL1300807 0.85 PTPN1 (0.38) PTPN1HPDPOLBLMNAHPGD
SCHEMBL12108740 0.84 PTPN1 (0.39) PTPN1HPDPOLBLMNAHPGD
SCHEMBL12109096 0.81 PTPN1 (0.37) PTPN1HPDPOLBLMNAHPGD
SCHEMBL18750602 0.81 GLRA1 (0.37) PTPN1HPDLMNAHPGDKDM4E
SCHEMBL1299609 0.81 CHRM2 (0.38) PTPN1HPDPOLBLMNAHPGD
SCHEMBL12109047 0.81 KDM2B (0.39) PTPN1HPDLMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
EP-2552890-B1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-01-04 EP disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
EP-2552890-A1 POLYCYCLIC TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2013-02-06 EP disclosed
US-20110269714-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-11-03 US disclosed
WO-2011123536-A1 POLYCYCLIC TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-10-06 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 (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-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885HPD 3360/4885POLB 1787/4885
US-20110269714-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB PTPN1 470/4885HPD 3360/4885POLB 1787/4885

“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.