SCHEMBL1934083

SCHEMBL1934083

Cc1ccc(S(=O)(=O)n2ccc3nc(CNC(=S)C4CCCN(C(=O)OC(C)(C)C)C4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
BCHE P06276 2/20 0.42
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 5/20 0.35
NAMPT P43490 2/20 0.35
RAB9A P51151 1/20 0.35
MERTK Q12866 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9990721 1.00 HTR6 (0.42) HTR6BCHEMMP13MMP1MMP9
SCHEMBL1934902 0.94 HTR6 (0.43) HTR6BCHEMMP13MMP1MMP9
SCHEMBL1935242 0.94 HTR6 (0.43) HTR6BCHEMMP13MMP1MMP9
SCHEMBL18832818 0.90 ALDH1A1 (0.38) KMT2AGAAALDH1A1RAB9APOLB
SCHEMBL1935169 0.89 HTR6 (0.38) HTR6BCHEMMP13ADAM17MEN1
SCHEMBL4348796 0.85 ALDH1A1 (0.39) KMT2AGAAALDH1A1RAB9AMAPT
SCHEMBL28595288 0.84 HTR6 (0.43) HTR6BCHEMMP13MMP1MMP9
SCHEMBL18855538 0.84 TACR1 (0.39) HTR6BCHEMMP13MMP1MMP9
SCHEMBL1536189 0.84 TACR1 (0.39) HTR6BCHEMMP13MMP1MMP9
SCHEMBL9990840 0.84 TACR1 (0.39) HTR6BCHEMMP13MMP1MMP9

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 HTR6 1465/4885BCHE 3024/4885MMP13 3599/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885MMP13 3599/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885MMP13 3599/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885MMP13 3599/4885

“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.