SCHEMBL1933878

SCHEMBL1933878

Cc1ccc(S(=O)(=O)n2ccc3nc(CNC(=O)[C@H]4C(C(C)(C)C)N(C(=O)O)CC[C@H]4C)cnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
GLA P06280 2/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4354359 0.83 CYP3A4 (0.37) PKMPLA2G1BATG4BCYP3A4CYP2D6
SCHEMBL1536189 0.80 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL18855538 0.80 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL9990840 0.80 TACR1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2318672 0.80 L3MBTL1 (0.46) CYP2C19L3MBTL1ALDH1A1RAB9ATP53
SCHEMBL1536085 0.79 HPGD (0.47) PKMPLA2G1BATG4BCYP3A4CYP2D6
SCHEMBL12554888 0.78 CYP3A4 (0.36) PKMPLA2G1BATG4BCYP3A4CYP2D6
SCHEMBL12389611 0.77 CA12 (0.42) L3MBTL1MEN1KMT2A
SCHEMBL1934902 0.77 HTR6 (0.43) PKMPLA2G1BATG4BCYP3A4CYP2D6
SCHEMBL1935242 0.77 HTR6 (0.43) PKMPLA2G1BATG4BCYP3A4CYP2D6

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
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES 2013-08-22 US disclosed
US-8426411-B2 Tricyclic compounds ABBOTT LABORATORIES (US) 2013-04-23 US disclosed
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 US disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (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-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 PKM 812/4885PLA2G1B 3942/4885ATG4B 1550/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 PKM 812/4885PLA2G1B 3942/4885ATG4B 1550/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 PKM 812/4885PLA2G1B 3942/4885ATG4B 1550/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 PKM 812/4885PLA2G1B 3942/4885ATG4B 1550/4885

“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.