SCHEMBL5163518

SCHEMBL5163518

Cc1[nH]c(=O)[nH]c(=O)c1I

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.48
NPC1 O15118 1/20 0.41
DPYD Q12882 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
LMNA P02545 1/20 0.36
GDA Q9Y2T3 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1445690 0.74 TYMP (0.56) TYMPNPC1ATAD2LMNAGDA
SCHEMBL11616197 0.70 JAK2 (0.46) TYMPNPC1ATAD2LMNAGDA
SCHEMBL2891489 0.70 TYMP (0.52) TYMPNPC1SMN1; SMN2
SCHEMBL13436880 0.70 TYMP (0.41) TYMPNPC1ATAD2LMNAGDA
SCHEMBL2888237 0.70 TYMP (0.52) TYMPNPC1LMNA
SCHEMBL9243616 0.70 TYMP (0.52) TYMPDPYDGDAKMT2AMEN1
SCHEMBL4561126 0.70 TYMP (0.52) TYMPNPC1LMNA
SCHEMBL4560955 0.70 TYMP (0.52) TYMPNPC1SMN1; SMN2
SCHEMBL13932516 0.70 TYMP (0.41) TYMPNPC1ATAD2LMNAGDA
SCHEMBL2891526 0.70 TYMP (0.52) TYMPNPC1ATAD2LMNAGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
US-10011602-B2 Immunological reagents and uses therefor THE UNIVERSITY OF MELBOURNE (AU) 2018-07-03 US disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 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 (2 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-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF ITGA1, ITGB7, ITGB4 TYMP 3977/4885NPC1 3082/4885DPYD 1084/4885
US-10011602-B2 Immunological reagents and uses therefor CD81, MRGPRX1, MRGPRX2 TYMP 4406/4885NPC1 1302/4885DPYD 2974/4885

“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.