SCHEMBL61176

SCHEMBL61176

O=S1(=O)NCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
BRD4 O60885 1/20 0.43
GRIA2 P42262 1/20 0.41
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA7 P43166 4/20 0.40
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MEN1 O00255 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL29681708 1.00 KEAP1 (0.44) KEAP1BRD4GRIA2CA12CA9
Hydrochloric Acid SCHEMBL7399331 0.98 KEAP1 (0.43) KEAP1BRD4GRIA2CA12CA9
SCHEMBL18638475 0.84 KDM4E (0.46) KEAP1BRD4GRIA2CA12CA9
SCHEMBL29412491 0.84 KEAP1 (0.40) KEAP1BRD4GRIA2CA12CA9
SCHEMBL18065115 0.83 CYP2A6 (0.47) KEAP1BRD4GRIA2CA12CA9
SCHEMBL22695019 0.80 OPRL1 (0.36) KEAP1BRD4GRIA2CA12CA9
SCHEMBL7524437 0.79 PARP1 (0.44) KEAP1BRD4GRIA2CA12CA9
SCHEMBL2087337 0.78 CA12 (0.35) KEAP1BRD4GRIA2CA12CA9
SCHEMBL710185 0.78 KEAP1 (0.50) KEAP1GRIA2CA12CA9CA1
SCHEMBL16852846 0.75 KEAP1 (0.47) KEAP1GRIA2CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP claimed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US claimed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US claimed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP claimed
CN-105189498-B Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors 默沙东公司 2017-06-27 CN claimed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO claimed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US claimed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US claimed
US-4228075-A Novel sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-10-14 US claimed
US-4210752-A Synthesis of substituted sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-07-01 US claimed
US-4204061-A Sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-05-20 US claimed
US-4195180-A Sulfam (na) phthaleins POLAROID CORPORATION (US) 1980-03-25 US claimed
US-4191689-A Benzisothiazole-1,1-dioxide and naphtho-1,2-thiazine-1,1-dioxide compounds POLAROID CORPORATION (US) 1980-03-04 US claimed
US-4186001-A IRREVERSIBLE CLEAVAGE IN ALKALINE SOLUTION TO FORM COLORLESS COMPOUND POLAROID CORPORATION (US) 1980-01-29 US claimed
US-4178446-A Sulfam(na)phthaleins POLAROID CORPORATION (US) 1979-12-11 US claimed
US-4178447-A Novel synthesis of 3,3-substituted dihydrobenzisothiazole-1,1-dioxides and -2,3-dihydronaphtho-1,2-thiazine-1,1-dioxides POLAROID CORPORATION (US) 1979-12-11 US claimed
EP-0001290-A1 Substituted 2,3-dihydrobenz-(d)-isothiazole-1,1-dioxides and 2,3-dihydronaphtho-(1,8-de)-1,2-thiazine-1,1-dioxides POLAROID CORPORATION (US) 1979-04-04 EP claimed
US-4139381-A DIFFUSION TRANSFER, ANTIFOGGING AGENTS POLAROID CORPORATION (US) 1979-02-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H KEAP1 2636/4885BRD4 1829/4885GRIA2 4494/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KEAP1 2636/4885BRD4 1829/4885GRIA2 4494/4885

“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.