SCHEMBL21597597

SCHEMBL21597597

O=C(Nc1cc2c(s1)C(C(=O)O)CCC2)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
BCL2L1 Q07817 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21603887 0.85 TP53 (0.44) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21597513 0.82 TP53 (0.53) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL8291574 0.76 NPC1 (0.47) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21597427 0.71 TBXAS1 (0.46) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21603821 0.67 TP53 (0.41) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21597854 0.66 TP53 (0.41) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21603764 0.66 ALDH1A1 (0.54) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL21597801 0.66 TP53 (0.40) TP53ALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10745249 0.64 SIRT1 (0.34) ALDH1A1LMNANPSR1MAPTGFER
SCHEMBL3328715 0.62 RAB9A (0.66) TP53ALOX15NPC1RAB9ASMN1; SMN2

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 5 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
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN 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 (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-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 TP53 2515/4885ALOX15 217/4885NPC1 185/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 TP53 2515/4885ALOX15 217/4885NPC1 185/4885

“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.