SCHEMBL4505291

SCHEMBL4505291

CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CCKAR P32238 1/20 0.44
RAB9A P51151 1/20 0.43
GRM3 Q14832 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4504471 0.90 TSHR (0.52) KMT2ATSHRMEN1POLBKDM4E
SCHEMBL4497510 0.85 TSHR (0.74) KMT2ATSHRMEN1MAPTALDH1A1
SCHEMBL16453447 0.76 HSD11B1 (0.50) KMT2ATSHRMEN1POLBMAPT
SCHEMBL9501938 0.76 KMT2A (0.54) KMT2ATSHRMEN1KDM4EALDH1A1
SCHEMBL16453477 0.76 TSHR (0.47) KMT2ATSHRMEN1POLBKDM4E
SCHEMBL7305700 0.74 ALDH1A1 (0.58) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL16442058 0.74 ALDH1A1 (0.64) POLBKDM4EALDH1A1GRM3HSD17B10
SCHEMBL7232912 0.74 ALDH1A1 (0.64) POLBKDM4EALDH1A1GRM3HSD17B10
SCHEMBL1520334 0.74 ALDH1A1 (0.64) POLBKDM4EALDH1A1GRM3HSD17B10
SCHEMBL5471030 0.73 ALDH1A1 (0.52) KMT2AMEN1POLBMAPTALDH1A1

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B KMT2A 3190/4885TSHR 4657/4885MEN1 4013/4885

“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.