SCHEMBL4352564

SCHEMBL4352564

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)O)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CCR6 P51684 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL1934124 0.89 L3MBTL1 (0.47) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL1535994 0.88 MEN1 (0.37) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL17219967 0.84 HSD11B1 (0.41) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL1536798 0.84 ALDH1A1 (0.40) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL17220417 0.83 P2RX7 (0.41) MEN1KMT2AALDH1A1CCR6KDM4E
SCHEMBL18855429 0.82 L3MBTL1 (0.46) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL1536041 0.81 L3MBTL1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL17220053 0.79 MEN1 (0.35) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL17220052 0.79 MEN1 (0.35) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL4348950 0.78 L3MBTL1 (0.49) MEN1KMT2APOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 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 (4 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 MEN1 165/4885KMT2A 3801/4885POLB 2659/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 MEN1 165/4885KMT2A 3801/4885POLB 2659/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 MEN1 165/4885KMT2A 3801/4885POLB 2659/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 MEN1 165/4885KMT2A 3801/4885POLB 2659/4885

“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.