SCHEMBL5955988

SCHEMBL5955988

CCCCS(=O)(=O)Nc1cc(Oc2ccc(OC)cc2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.47
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
AR P10275 1/20 0.40
PIK3CA P42336 1/20 0.39
KDR P35968 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
PTK2B Q14289 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL5955986 0.83 MRGPRX1 (0.49) MRGPRX1
SCHEMBL13740900 0.78 TSHR (0.48) MRGPRX1LMNATSHRHTTSMN1; SMN2
SCHEMBL5956030 0.73 FFAR4 (0.60) MRGPRX1LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL11614975 0.72 LMNA (0.46) MRGPRX1LMNATSHRHTTSMN1; SMN2
SCHEMBL5955997 0.71 MEN1 (0.58) HTTSMN1; SMN2MAPTKEAP1
SCHEMBL5762577 0.70 ALDH1A1 (0.46) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL2061500 0.70 ALDH1A1 (0.46) LMNAARALDH1A1GAAMAPT
SCHEMBL11573997 0.69 ALDH1A1 (0.44) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL763435 0.69 ALDH1A1 (0.44) LMNATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL5955965 0.69 PGR (0.56) KEAP1

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-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US claimed
US-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 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-20060004197-A1 Sulfonamide-based compounds as protein tyrosine kinase inhibitors SRC, LCK, ABL1 MRGPRX1 1297/4885LMNA 4817/4885TSHR 3158/4885

“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.