SCHEMBL3755288

SCHEMBL3755288

Cc1cc(Br)cc(B(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
TSHR P16473 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 1/20 0.35
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 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
SCHEMBL364635 0.82 CA2 (0.52) CA2CA1TSHRLPLLIPG
SCHEMBL257564 0.82 CA2 (0.52) CA2CA1TSHRLPLLIPG
SCHEMBL16279878 0.82 CA2 (0.52) CA2CA1TSHRLPLLIPG
SCHEMBL7657848 0.82 CA2 (0.52) CA2CA1TSHRLPLLIPG
Ammonia Solution, Strong SCHEMBL28219615 0.79 LPL (0.50) CA2TSHRLPLLIPGALDH1A1
SCHEMBL8509685 0.79 LPL (0.50) CA2TSHRLPLLIPGALDH1A1
SCHEMBL18685738 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL15270190 0.73 ALDH1A1 (0.57) CA2LPLLIPGALDH1A1ACHE
SCHEMBL16426119 0.73 ENPP2 (0.44) CA2CA1TSHR
SCHEMBL249769 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501132-A A kind of preparation technology of the Methoxybenzenesulfonyl chloride of 3 methyl 5 贵州大学 2017-12-22 CN claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
US-12069942-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-08-20 US disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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 (7 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-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885CA1 908/4885TSHR 2421/4885
US-12069942-B2 Organometallic compound and organic light-emitting device including the same CRY1, LEF1, POU2F1 CA2 3952/4885CA1 3120/4885TSHR 3162/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885CA1 908/4885TSHR 2421/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB CA2 4403/4885CA1 4777/4885TSHR 4624/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CA2 2735/4885CA1 4181/4885TSHR 3881/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CA2 1833/4885CA1 4524/4885TSHR 1753/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE CA2 4229/4885CA1 4748/4885TSHR 4615/4885

“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.