SCHEMBL21603822

SCHEMBL21603822

O=C(O)c1c(NC(=O)C2CC2)sc2c1CC1(CC2)OCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.61
FLT3 P36888 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
RAB7A P51149 2/20 0.45
KMT2A Q03164 3/20 0.45
PTPRC P08575 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPRB P23467 2/20 0.42
PTPRE P23469 2/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPN6 P29350 1/20 0.40
NOD1 Q9Y239 1/20 0.39
MEN1 O00255 1/20 0.39
REV1 Q9UBZ9 1/20 0.39

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
SCHEMBL21603795 0.84 KMT2A (0.67) KDM4EHSD17B10MAPTKMT2AALDH1A1
SCHEMBL21597399 0.84 CNR2 (0.46) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL21597843 0.82 RAB7A (0.57) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL5453513 0.81 FLT3 (0.62) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL4084325 0.79 PTPN1 (0.71) PTPN1KDM4EMAPTRAB7AKMT2A
SCHEMBL19140414 0.77 RAB7A (0.55) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL3914277 0.76 FLT3 (0.77) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL5453432 0.75 PTPN1 (0.71) PTPN1FLT3KDM4EHSD17B10MAPT
SCHEMBL4144598 0.73 PTPN1 (0.72) PTPN1MAPTPTPRCPTPN2PTPRB
SCHEMBL21597466 0.72 KDM4E (0.53) PTPN1FLT3KDM4EHSD17B10MAPT

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-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 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-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 PTPN1 195/4885FLT3 3722/4885KDM4E 3965/4885

“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.