SCHEMBL4083604

SCHEMBL4083604

COC(=O)c1csc(CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
DAO P14920 1/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
XDH P47989 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40

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
SCHEMBL13814173 0.84 DAO (0.65) PARP1DAOCA12CA1CA2
SCHEMBL2176203 0.84 PARP1 (0.47) PARP1DAOCA12CA1CA2
SCHEMBL23202358 0.83 DAO (0.50) DAOCA12CA1CA2CA7
SCHEMBL12407032 0.82 LOXL2 (0.49) PARP1DAOCA12CA1CA2
SCHEMBL24036135 0.82 PARP1 (0.49) PARP1DAOCA12CA1CA2
SCHEMBL24459408 0.82 PARP1 (0.46) PARP1DAOCA12CA1CA2
SCHEMBL2173402 0.82 PARP1 (0.46) PARP1DAOCA12CA1CA2
SCHEMBL16355881 0.81 DAO (0.41) PARP1DAOCA12CA1CA2
SCHEMBL2332640 0.81 PARP1 (0.45) PARP1DAOCA12CA1CA2
SCHEMBL10673042 0.81 USP2 (0.47) PARP1DAOCA12CA1CA2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099907-A The Thienopyrroles derivative of targeting protein, composition, method and application thereof 拜欧赛里克斯公司 2019-08-06 CN disclosed
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 WO disclosed
US-7589213-B2 Therapeutic substituted lactams OLD DAVID W 2009-09-15 US disclosed
US-7589213-B2 Therapeutic substituted lactams OLD DAVID W 2009-09-15 US disclosed
US-20080269498-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2008-10-30 US disclosed
US-20080269498-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2008-10-30 US disclosed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 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 (3 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-20080269498-A1 THERAPEUTIC SUBSTITUTED LACTAMS MRPL21, CLPP, PEPD PARP1 943/4885DAO 174/4885CA12 2206/4885
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 PARP1 1686/4885DAO 3548/4885CA12 2525/4885
US-20150258048-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 PARP1 668/4885DAO 4300/4885CA12 3501/4885

“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.