SCHEMBL21261064

SCHEMBL21261064

CC1(C)Cc2c(sc(NC(=O)c3ccc(N4CCOCC4)nc3)c2C(=O)O)C(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ IKBKE Q14164 1/20 0.47
▸ TBK1 Q9UHD2 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40

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
SCHEMBL21247297 0.87 PTPN1 (0.56) PTPN1MAPTSMN1; SMN2LMNAHDAC10
SCHEMBL21247282 0.84 RAB7A (0.51) IKBKETBK1MAPTSMN1; SMN2LMNA
SCHEMBL21247214 0.83 RORC (0.56) IKBKETBK1MAPTSMN1; SMN2LMNA
SCHEMBL21247291 0.79 PTPN1 (0.54) PTPN1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21247208 0.78 PTPN1 (0.56) PTPN1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21247262 0.78 PTPN1 (0.52) PTPN1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21261013 0.78 PTPN1 (0.53) PTPN1MAPTSMN1; SMN2LMNAHTT
SCHEMBL21247271 0.78 PTPN1 (0.55) PTPN1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21247337 0.77 PTPN1 (0.68) PTPN1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21247234 0.76 PTPN1 (0.64) PTPN1MAPTSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — US disclosed
CN-111954668-A Fused thiophene derivative and use thereof 埃尼奥制药公司 2020-11-17 — — CN disclosed
WO-2019154950-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — 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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH PTPN1 1639/4885IKBKE 2715/4885TBK1 475/4885

“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.

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