Sugi Predict

Sugi Predict / Compounds / SCHEMBL9288669

SCHEMBL9288669

SCHEMBL9288669

CCN(CC)c1c(Br)cc(OCc2ccccc2)c(C(=O)Oc2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ APP P05067 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TSPO P30536 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9286601 0.89 LTB4R (0.40) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL17692730 0.88 BCHE (0.39) BCHEL3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL9289231 0.87 FAAH (0.38) L3MBTL1MAPTCYP2C9CYP2C19MAPK1
SCHEMBL9289888 0.85 LTB4R (0.40) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL9283249 0.82 MCL1 (0.43) THRATHRBL3MBTL1MAPTTDP1
SCHEMBL9289884 0.82 MAPT (0.40) THRATHRBL3MBTL1MAPTTDP1
SCHEMBL18531696 0.81 LTB4R (0.37) TDP1FFAR4LTB4RLTB4R2
SCHEMBL9288603 0.81 SMN1; SMN2 (0.43) THRATHRBL3MBTL1MAPTTDP1
SCHEMBL17692744 0.79 LTB4R (0.35) BCHELTB4RLTB4R2
SCHEMBL9284169 0.79 NPC1 (0.40) MAPTSMN1; SMN2APP

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-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — US disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
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 (3 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 NOX1 4540/4885BCHE 3672/4885THRA 256/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A NOX1 4540/4885BCHE 3672/4885THRA 256/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A NOX1 4540/4885BCHE 3672/4885THRA 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.