SCHEMBL1934902

SCHEMBL1934902

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
BCHE P06276 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
MMP13 P45452 2/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL1935242 1.00 HTR6 (0.43) HTR6BCHEUSP2ALDH1A1SMN1; SMN2
SCHEMBL1934083 0.94 HTR6 (0.42) HTR6BCHEUSP2ALDH1A1SMN1; SMN2
SCHEMBL9990721 0.94 HTR6 (0.42) HTR6BCHEUSP2ALDH1A1SMN1; SMN2
SCHEMBL9990840 0.89 TACR1 (0.39) HTR6BCHECYP3A4CYP2D6CYP2C9
SCHEMBL18855538 0.89 TACR1 (0.39) HTR6BCHECYP3A4CYP2D6CYP2C9
SCHEMBL1536189 0.89 TACR1 (0.39) HTR6BCHECYP3A4CYP2D6CYP2C9
SCHEMBL1536085 0.88 HPGD (0.47) USP2ALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL28595288 0.86 HTR6 (0.43) HTR6BCHEMMP13KMT2AMMP1
SCHEMBL1935169 0.85 HTR6 (0.38) HTR6BCHECYP3A4MMP13KMT2A
SCHEMBL28589631 0.83 USP30 (0.44) HTR6BCHEALDH1A1RAB9AMMP13

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 3024/4885USP2 4791/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885USP2 4791/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885USP2 4791/4885
US-20130216497-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR6 1465/4885BCHE 3024/4885USP2 4791/4885

“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.