SCHEMBL21261003

SCHEMBL21261003

CC1(C)Cc2c(sc(NC(=O)c3ccc(NC4CNC4)cc3)c2C(=O)O)C(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.55
▸ KMT2A Q03164 8/20 0.42
▸ MEN1 O00255 7/20 0.41
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TNF P01375 4/20 0.39
▸ NOD1 Q9Y239 4/20 0.39
▸ RAB7A P51149 1/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ KLF5 Q13887 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
SCHEMBL21247296 0.91 PTPN1 (0.53) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21261036 0.89 PTPN1 (0.55) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21247442 0.89 PTPN1 (0.55) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21247169 0.87 PTPN1 (0.53) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21250179 0.86 PTPN1 (0.53) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21247306 0.85 PTPN1 (0.52) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL22681000 0.85 PTPN1 (0.48) PTPN1
SCHEMBL21247294 0.85 PTPN1 (0.51) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21247337 0.83 PTPN1 (0.68) PTPN1KMT2AMEN1MAPTALDH1A1
SCHEMBL21247234 0.82 PTPN1 (0.64) PTPN1KMT2AMEN1MAPTALDH1A1

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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — US 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 1639/4885KMT2A 3454/4885MEN1 3538/4885

“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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