SCHEMBL7450435

SCHEMBL7450435

CS(=O)(=O)Cc1ccc(N)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.50
CA1 P00915 8/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 4/20 0.50
CA4 P22748 4/20 0.50
CA6 P23280 4/20 0.50
CA5A P35218 4/20 0.50
CA7 P43166 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA5B Q9Y2D0 4/20 0.50
PTPN1 P18031 1/20 0.43
BRD4 O60885 1/20 0.40
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
G6PD P11413 1/20 0.34
IDE P14735 1/20 0.34
SKP2 Q13309 1/20 0.34
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL1654641 0.82 SKP2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL7612991 0.82 CA1 (0.44) CA2CA1CA9CA12CA4
SCHEMBL21191051 0.79 PTPN1 (0.45) CA2CA1CA9PTPN1BRD4
SCHEMBL18398223 0.77 CA1 (0.48) CA2CA1CA9CA12CA4
SCHEMBL1852602 0.77 CA2 (0.48) CA2CA1CA9CA12CA4
SCHEMBL2516047 0.76 PTPN1 (0.42) CA2CA1CA9PTPN1GAA
SCHEMBL1063295 0.75 SKP2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL29923559 0.75 SKP2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL1300912 0.74 GAA (0.54) CA2CA1CA9CA12CA4
SCHEMBL2291950 0.74 PTPN1 (0.41) CA2CA1PTPN1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 US disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 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 (5 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-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 CA2 1316/4885CA1 1437/4885CA9 964/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 CA2 2280/4885CA1 1983/4885CA9 2560/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 CA2 2280/4885CA1 1983/4885CA9 2560/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 CA2 2280/4885CA1 1983/4885CA9 2560/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 CA2 2329/4885CA1 1950/4885CA9 2619/4885

“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.