SCHEMBL1534081

SCHEMBL1534081

COc1ccc(OCc2ccccc2)c(C(=O)Oc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXRA P19793 1/20 0.47
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11908685 0.86 POLB (0.47) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL24926991 0.86 MAPT (0.46) SMN1; SMN2NPC1MAPTTDP1L3MBTL1
SCHEMBL20370127 0.86 PTPN1 (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL24926906 0.86 MRGPRX4 (0.46) SMN1; SMN2HPGDMAPTTDP1L3MBTL1
SCHEMBL9287256 0.85 PDE4A (0.51) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL9287507 0.84 SMPD1 (0.46) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL9279944 0.84 NPC1 (0.44) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL11920787 0.84 PTPN1 (0.49) CTSVCTSLSMN1; SMN2NPC1RAB9A
SCHEMBL11920808 0.84 PTPN1 (0.46) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL11923220 0.83 FAAH (0.46) NPC1MAPTL3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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 (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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 CTSV 1658/4885CTSL 660/4885SMN1; SMN2 2381/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C CTSV 1804/4885CTSL 1292/4885SMN1; SMN2 3267/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 CTSV 2005/4885CTSL 1560/4885SMN1; SMN2 2902/4885

“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.