SCHEMBL9283183

SCHEMBL9283183

COc1c(F)c(F)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9282938 0.91 PTPN1 (0.45) KCNA3PTPN1LMNAHPGDMEN1
SCHEMBL9282750 0.91 PTPN1 (0.43) KCNA3PTPN1LMNAHPGDMAOB
SCHEMBL9282847 0.90 KCNA3 (0.41) KCNA3PTPN1LMNAHPGDMEN1
SCHEMBL6125213 0.87 PTPN1 (0.40) KCNA3PTPN1LMNAHPGDMAOB
SCHEMBL20370139 0.86 PTPN1 (0.45) PTPN1LMNAHPGDMEN1KMT2A
SCHEMBL9284160 0.86 RAB9A (0.41) KCNA3PTPN1LMNAHPGDKMT2A
SCHEMBL12109480 0.85 LMNA (0.39) KCNA3PTPN1LMNAHPGDMAOB
SCHEMBL12108837 0.84 PTPN1 (0.38) KCNA3PTPN1LMNAHPGDMAOB
SCHEMBL18524982 0.84 PTPN1 (0.41) PTPN1LMNAHPGDMEN1KMT2A
SCHEMBL9282987 0.83 PTPN1 (0.40) PTPN1LMNAHPGDKMT2AMAOB

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 KCNA3 3725/4885PTPN1 402/4885LMNA 3089/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A KCNA3 3725/4885PTPN1 402/4885LMNA 3089/4885

“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.