SCHEMBL1299729

SCHEMBL1299729

O=C1NC(=O)C(=Cc2ccc(OCC3CCC(C(=O)O)CC3)cc2)S1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 16/20 0.80
GPR35 Q9HC97 1/20 0.62
PIM1 P11309 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PTGS2 P35354 1/20 0.56
PTPN1 P18031 1/20 0.55

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
SCHEMBL1299725 1.00 HPGD (0.80) HPGDGPR35PIM1PIM2MAOA
SCHEMBL12107542 0.89 HPGD (1.00) HPGDGPR35PIM1PIM2MAOA
SCHEMBL1299871 0.88 HPGD (1.00) HPGDGPR35PIM1PIM2
SCHEMBL12110019 0.88 HPGD (1.00) HPGDGPR35PIM1PIM2
SCHEMBL934038 0.85 HPGD (1.00) HPGDPIM1PIM2
SCHEMBL12107393 0.85 HPGD (1.00) HPGDPIM1PIM2
SCHEMBL934036 0.85 HPGD (1.00) HPGDPIM1PIM2
SCHEMBL1300371 0.84 HPGD (1.00) HPGDPIM1PIM2MAOAMAOB
SCHEMBL1300375 0.84 HPGD (1.00) HPGDPIM1PIM2MAOAMAOB
SCHEMBL6866296 0.84 HPGD (1.00) HPGDPIM1PIM2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637558-B2 Thiazolidinedione derivative and use thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2014-01-28 US disclosed
US-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2011-11-03 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 (1 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-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF HPGD, CYP27B1, GCDH HPGD 1/4885GPR35 563/4885PIM1 4115/4885

“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.