SCHEMBL18523741

SCHEMBL18523741

Cc1c(F)c(C=O)c(F)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
BRD4 O60885 1/20 0.38
EDNRA P25101 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL18524982 0.91 PTPN1 (0.41) PTPN1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL113290 0.90 PTPN1 (0.39) PTPN1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18766383 0.88 PTPN1 (0.38) PTPN1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24926429 0.87 PTPN1 (0.36) PTPN1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18523541 0.86 PTPN1 (0.39) PTPN1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9288719 0.85 GAA (0.39) NPC1MAPTL3MBTL1LMNAKMT2A
SCHEMBL20370139 0.84 PTPN1 (0.45) PTPN1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18531609 0.84 NPC1 (0.38) PTPN1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9282938 0.84 PTPN1 (0.45) PTPN1MRGPRX4MAPTLMNAHPGD
SCHEMBL9282987 0.83 PTPN1 (0.40) PTPN1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 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 4727/4885NPC1 1393/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885MRGPRX4 4727/4885NPC1 1393/4885

“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.