SCHEMBL8940205

SCHEMBL8940205

NC(=O)C(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.43
GABRR1 P24046 2/20 0.42
LMNA P02545 1/20 0.42
FOLH1 Q04609 2/20 0.39
CYP2C19 P33261 2/20 0.38
CPA1 P15085 2/20 0.37
CPB1 P15086 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35

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
SCHEMBL27538444 0.91 SLC22A6 (0.45) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL8940204 0.82 ALOX15 (0.39) TDP1SMN1; SMN2GABRR1LMNACYP2C19
SCHEMBL110197 0.81 TDP1 (0.59) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL5221301 0.78 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL8074653 0.78 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL1472841 0.78 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL5681439 0.78 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL5668507 0.76 GABRP (0.37) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL8470668 0.76 GABRP (0.37) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL3110310 0.75 TDP1 (0.53) TDP1SMN1; SMN2SLC22A6GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296536-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US claimed
US-20140256956-A1 METHOD FOR PRODUCING DITHINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US claimed
CN-103874703-A Method for preparing dithiine tetracarboxydiimides BAYER IP GMBH 2014-06-18 CN claimed
JP-8176105-A None JP disclosed
CN-103649100-B Platinum compound with leaving group of succinic acid derivative containing amino or alkylamino, preparation method and application thereof 北京市丰硕维康技术开发有限责任公司 2016-06-22 CN disclosed
US-20140296536-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
US-20140256956-A1 METHOD FOR PRODUCING DITHINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
CN-103874703-A Method for preparing dithiine tetracarboxydiimides BAYER IP GMBH 2014-06-18 CN disclosed
CN-102993239-A Platinum compound of succinic acid derivative with leaving group containing amino or alkylamino CHEN XIAOPING 2013-03-27 CN disclosed
JP-H08176105-A 2-CARBOXYSUCCINIC ACID IMIDE DERIVATIVE DAINIPPON PHARMACEUT CO LTD 1996-07-09 JP 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-20140256956-A1 METHOD FOR PRODUCING DITHINE TETRACARBOXIMIDES TST, TXNDC5, TXN TDP1 1497/4885SMN1; SMN2 3914/4885SLC22A6 4085/4885
US-20140296536-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES TST, TXNDC5, TMT1A TDP1 1679/4885SMN1; SMN2 3842/4885SLC22A6 3863/4885

“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.