SCHEMBL81598

SCHEMBL81598

[C-]#[N+]c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
KMO O15229 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
UNG P13051 1/20 0.47
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
FOLH1 Q04609 1/20 0.46
AKR1C3 P42330 1/20 0.46
TP53 P04637 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL12714916 0.84 ATM (0.63) HSD17B10HPGDKDM4EMEN1ALDH1A1
SCHEMBL29953400 0.84 ATM (0.63) HSD17B10HPGDKDM4EMEN1ALDH1A1
SCHEMBL12197388 0.82 PARP1 (0.53) HSD17B10TSHRMEN1KMT2APOLB
SCHEMBL10439263 0.82 ALDH1A1 (0.46) CYP1A2MEN1ALDH1A1KMT2APOLB
SCHEMBL31267166 0.82 ALDH1A1 (0.46) CA12CA1CA2CA6CA9
SCHEMBL13389659 0.82 ALDH1A1 (0.46) CA12CA1CA2CA6CA9
SCHEMBL18198709 0.79 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL13389463 0.79 PARP1 (0.33) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL10787177 0.78 CA12 (0.50) CA12CA1CA2CA6CA9
SCHEMBL12205536 0.77 GSK3B (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11702596-B2 Polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, and image display device FUJIFILM CORPORATION (JP) 2023-07-18 US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 US disclosed
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS NORGINE B.V. (NL) 2017-01-05 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
US-20090130726-A1 PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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 (14 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 CA12 1865/4885CA1 993/4885CA2 1361/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CA12 4446/4885CA1 3328/4885CA2 3798/4885
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 CA12 2312/4885CA1 2127/4885CA2 854/4885
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R CA12 68/4885CA1 50/4885CA2 114/4885
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 CA12 4485/4885CA1 4352/4885CA2 3734/4885
US-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 CA12 1520/4885CA1 1060/4885CA2 1042/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS CA12 4187/4885CA1 4739/4885CA2 4773/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 CA12 2312/4885CA1 2127/4885CA2 854/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CA12 687/4885CA1 966/4885CA2 2006/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CA12 4860/4885CA1 4847/4885CA2 4472/4885
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS CCR9, CCR1, CCR4 CA12 2327/4885CA1 2923/4885CA2 1766/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 CA12 1469/4885CA1 1058/4885CA2 1173/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R CA12 68/4885CA1 50/4885CA2 114/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 CA12 221/4885CA1 415/4885CA2 517/4885

“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.