SCHEMBL4354359

SCHEMBL4354359

Cc1ccc(S(=O)(=O)n2ccc3nc(CNC(=O)C4CN(C(=O)O)CCC4C)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G1B P04054 1/20 0.35
PKM P14618 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1536189 0.90 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL9990840 0.90 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL18855538 0.90 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL28935839 0.87 L3MBTL1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19PLA2G1B
SCHEMBL28701400 0.87 L3MBTL1 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19PLA2G1B
SCHEMBL12554888 0.84 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19PLA2G1B
SCHEMBL1933878 0.83 PKM (0.36) CYP3A4CYP2D6CYP2C9CYP2C19PLA2G1B
SCHEMBL1935169 0.83 HTR6 (0.38) CYP3A4MEN1KMT2A
SCHEMBL18832818 0.82 ALDH1A1 (0.38) GAARAB9AALDH1A1SMN1; SMN2USP2
SCHEMBL4354349 0.81 L3MBTL1 (0.36) GAARAB9AL3MBTL1ALDH1A1SMN1; SMN2

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 8 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
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP 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 CYP3A4 12/4885CYP2D6 7/4885CYP2C9 18/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 CYP3A4 12/4885CYP2D6 7/4885CYP2C9 18/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CYP3A4 12/4885CYP2D6 7/4885CYP2C9 18/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CYP3A4 12/4885CYP2D6 7/4885CYP2C9 18/4885

“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.