SCHEMBL2533229

SCHEMBL2533229

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.42
F7 P08709 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 5/20 0.38
BRD4 O60885 2/20 0.38
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MCL1 Q07820 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PLA2G1B P04054 1/20 0.36
P4HB P07237 1/20 0.36
DNMT1 P26358 1/20 0.36
BCL2L1 Q07817 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
SCHEMBL2532212 0.89 KDM1A (0.37) F11F7ALDH1A1POLBBRD4
SCHEMBL2536680 0.89 HTT (0.45) F11F7ALDH1A1SMN1; SMN2POLB
SCHEMBL2527836 0.87 F10 (0.40) F11F7ALDH1A1SMN1; SMN2TP53
SCHEMBL15509518 0.86 ACHE (0.40) F11F7ALDH1A1SMN1; SMN2F2
SCHEMBL12219890 0.86 KMO (0.43) F11F7ALDH1A1POLBKDM4E
SCHEMBL2530568 0.86 SCN3A (0.41) F11F7CREBBP
SCHEMBL2533078 0.85 PFKFB3 (0.44) ALDH1A1POLBBRD4HPGDKDM4E
SCHEMBL2530887 0.85 KDM4E (0.45) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL12220244 0.85 KMO (0.36) F11F7ALDH1A1POLBKDM4E
SCHEMBL2535130 0.84 KMT2A (0.46) TP53POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN claimed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US claimed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US claimed
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN claimed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US claimed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US claimed
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN disclosed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 F11 3364/4885F7 2500/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 F11 3364/4885F7 2500/4885ALDH1A1 552/4885

“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.