SCHEMBL3079427

SCHEMBL3079427

CCN(C(=O)C(CCc1ccc(Br)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MLYCD O95822 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL3092117 0.86 ALDH1A1 (0.49) TSHRALDH1A1GLAKMT2ACHRM2
SCHEMBL3093099 0.86 CHRM2 (0.43) TSHRALDH1A1GLAKMT2AHPGD
SCHEMBL3079647 0.85 ALDH1A1 (0.48) TSHRALDH1A1GLAKMT2ACHRM2
SCHEMBL3103221 0.82 CYP1A2 (0.45) TSHRALDH1A1GLASMN1; SMN2
SCHEMBL27787093 0.82 BCHE (0.53) L3MBTL1
SCHEMBL3079178 0.80 POLB (0.40) TSHRALDH1A1GLAKMT2AHSP90AA1
SCHEMBL3096411 0.79 LARS1 (0.45) ALDH1A1KMT2AMEN1POLB
SCHEMBL3085033 0.77 ALDH1A1 (0.44) TSHRALDH1A1GLAKMT2ATP53
SCHEMBL3089595 0.76 TSHR (0.49) TSHRALDH1A1GLAKMT2AHPGD
SCHEMBL3097715 0.75 ALDH1A1 (0.45) TSHRALDH1A1GLAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 TSHR 678/4885ALDH1A1 617/4885GLA 1615/4885

“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.