Isocitric Acid

Isocitric Acid

SCHEMBL2198195

NC1CCCCC1N.NC1CCCCC1N.O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Pt+2].[Pt+2].[Pt+2]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.35
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
Isocitric Acid SCHEMBL3179346 1.00 CA4 (0.35) CA4THRBMEN1KMT2AALDH1A1
Isocitric Acid SCHEMBL31316947 0.98 CA4 (0.34) CA4THRBMEN1KMT2AALDH1A1
SCHEMBL29349496 0.82 THRB (0.32) CA4THRBMEN1KMT2A
Cadaverine Tartrate SCHEMBL30432913 0.82 THRB (0.46) THRBMEN1KMT2AANPEPERAP2
Isocitric Acid SCHEMBL2396430 0.78 CA4 (0.50) CA4CA2
Isocitric Acid SCHEMBL2581302 0.78 CA4 (0.50) CA4CA2
Isocitric Acid SCHEMBL19138174 0.78 CA4 (0.50) CA4CA2
Isocitric Acid SCHEMBL6739630 0.78 CA4 (0.50) CA4CA2
Isocitric Acid SCHEMBL2580919 0.78 CA4 (0.50) CA4CA2
Isocitric Acid SCHEMBL11648770 0.78 CA4 (0.50) CA4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193434-A1 Anti-tumor composition AJINOMOTO CO. INC (JP) 2002-12-19 US claimed
US-20020193362-A1 Anti-tumor composition AJINOMOTO CO. INC (JP) 2002-12-19 US claimed
CN-116903748-A anti-AXL antagonistic antibodies 卑尔根技术锻造股份公司 2023-10-20 CN disclosed
CN-109311997-B anti-AXL antagonistic antibodies 卑尔根技术锻造股份公司 2023-07-18 CN disclosed
CN-116410318-A anti-AXL antagonistic antibodies 卑尔根技术锻造股份公司 2023-07-11 CN disclosed
CN-107207472-B Inhibitors of AKT kinase 卑尔根生物股份公司 2020-08-14 CN disclosed
CN-111246883-A Treatment of triple negative breast cancer or colorectal cancer with anti-PD-L1 antibody and oncolytic virus with liver metastasis 美国安进公司 2020-06-05 CN disclosed
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1068870-B1 ANTITUMOR AGENTS AJINOMOTO KK (JP) 2006-06-07 EP disclosed
US-20050281892-A1 Highly efficacious and highly safe composition of a Stilbene derivative and a platinum coordination compound cis-diaminedichloroplatinum (II) AJINOMOTO CO., INC. (JP) 2005-12-22 US disclosed
US-20020193434-A1 Anti-tumor composition AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
US-20020193362-A1 Anti-tumor composition AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1068870-A1 ANTITUMOR AGENTS Ajinomoto Co., Inc. (JP) 2001-01-17 EP 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-20020193434-A1 Anti-tumor composition TP53, VHL, MKI67 CA4 162/4885THRB 2902/4885MEN1 908/4885
US-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A CA4 2007/4885THRB 3159/4885MEN1 885/4885
US-20050281892-A1 Highly efficacious and highly safe composition of a Stilbene derivative and a platinum coordination compound cis-diaminedichloroplatinum (II) MSH2, TOP2B, TP53 CA4 1079/4885THRB 3940/4885MEN1 212/4885
US-20020193362-A1 Anti-tumor composition TP53, VHL, MKI67 CA4 162/4885THRB 2902/4885MEN1 908/4885
US-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 CA4 1164/4885THRB 2803/4885MEN1 1505/4885

“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.