SCHEMBL4540907

SCHEMBL4540907

CCC(O)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
FFAR3 O14843 2/20 0.39
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TET2 Q6N021 1/20 0.33
GRM2 Q14416 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
SCHEMBL42929 0.85 ALDH1A1 (0.38) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL938483 0.85 ALDH1A1 (0.38) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL2505815 0.85 ALDH1A1 (0.38) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL4845531 0.81 TET2 (0.37) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL27686063 0.81 ALDH1A1 (0.35) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL4845519 0.81 TET2 (0.37) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL458918 0.79 GLRA1 (0.35) ALDH1A1TSHRMEN1CYP1A2KMT2A
SCHEMBL9495447 0.79 TET2 (0.40) ALDH1A1TSHRMEN1CYP1A2KMT2A
SCHEMBL8517735 0.79 ALDH1A1 (0.34) ALDH1A1TSHRMEN1CYP1A2KMT2A
SCHEMBL28334008 0.79 ALDH1A1 (0.33) ALDH1A1TSHRMEN1CYP1A2KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072939-A1 LISURID, TERGURIDE AND DERIVATIVES THEREOF FOR USE IN THE PROPHYLAXIS AND/OR TREATMENT OF FIBROTIC CHANGES SINOXA PHARMA GMBH (DE) 2015-03-12 US disclosed
US-20140058108-A1 Lisuride, Terguride and Derivatives Thereof for Use in the Prophylaxis and/or Treatment of Fibrotic Changes SINOXA PHARMA UG (DE) 2014-02-27 US disclosed
EP-2637644-A1 LISURIDE, TERGURIDE AND DERIVATIVES THEREOF FOR USE IN THE PROPHYLAXIS AND/OR TREATMENT OF FIBROTIC CHANGES Sinoxa Pharma UG (DE) 2013-09-18 EP disclosed
EP-2550959-A1 Lisuride, terguride and derivatives of same for use in the prevention and/or treatment of fibrotic changes Sinoxa Pharma (DE) 2013-01-30 EP disclosed
WO-2012062676-A1 LISURIDE, TERGURIDE AND DERIVATIVES THEREOF FOR USE IN THE PROPHYLAXIS AND/OR TREATMENT OF FIBROTIC CHANGES SINOXA PHARMA UG (DE) 2012-05-18 WO disclosed
CN-101035931-A Electrolyte solution, method for forming oxide film using the same, laminate, method for producing the laminate, and metal oxide film MITSUBISHI CHEM CORP (JP) 2007-09-12 CN disclosed
CN-1130255-C Method for production of oxide catalyst for oxidation or ammoxidation ASAHI KASEI CO LTD (JP) 2003-12-10 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
CN-1344584-A Method for production of oxide catalyst for oxidation or ammoxidation ASAHI KASEI CO LTD (JP) 2002-04-17 CN disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 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 (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-20140058108-A1 Lisuride, Terguride and Derivatives Thereof for Use in the Prophylaxis and/or Treatment of Fibrotic Changes HTR2B, HTR2A, HTR7 ALDH1A1 323/4885TSHR 245/4885FFAR3 443/4885
US-20150072939-A1 LISURID, TERGURIDE AND DERIVATIVES THEREOF FOR USE IN THE PROPHYLAXIS AND/OR TREATMENT OF FIBROTIC CHANGES HTR2B, HTR2A, HTR1D ALDH1A1 283/4885TSHR 259/4885FFAR3 571/4885

“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.