SCHEMBL3097754

SCHEMBL3097754

CCOC(=O)C(Cc1cnn(Cc2ccc(Cl)cc2)c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
OPRK1 P41145 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KLKB1 P03952 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 2/20 0.41
GPR119 Q8TDV5 4/20 0.41

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
SCHEMBL3100132 0.89 LMNA (0.48) SMN1; SMN2MAPTLMNAALDH1A1KCNH2
SCHEMBL3097061 0.89 ALDH1A1 (0.49) TSHRLMNAKLKB1ALDH1A1GPR119
SCHEMBL3092413 0.89 KMT2A (0.47) HSD17B10CYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL3093110 0.84 ALDH1A1 (0.47) HSD17B10CYP1A2CYP3A4TSHRMAPT
SCHEMBL3088265 0.83 KMT2A (0.43) TSHRMAPTLMNAKDM4EALDH1A1
SCHEMBL3083956 0.83 DRD4 (0.59) HSD17B10DRD2DRD4ABCB11CYP1A2
SCHEMBL3092869 0.80 HSD17B10 (0.51) HSD17B10SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL3080718 0.79 ALDH1A1 (0.44) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL3093292 0.79 ALDH1A1 (0.50) MAPTLMNAKDM4EKLKB1ALDH1A1
SCHEMBL15310228 0.78 HSD17B10 (0.49) HSD17B10CYP1A2SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 HSD17B10 561/4885DRD2 3787/4885DRD4 4372/4885

“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.