SCHEMBL21247208

SCHEMBL21247208

CN1CCN(c2ccc(C(=O)Nc3sc4c(c3C(=O)O)CC(C)(C)CC4(C)C)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.56
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ HDAC3 O15379 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ KDM1B Q8NB78 2/20 0.40
▸ RCOR1 Q9UKL0 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ TNIK Q9UKE5 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
Hydrochloric Acid SCHEMBL21247156 0.99 PTPN1 (0.55) PTPN1NPC1RAB9AHDAC3HDAC8
SCHEMBL21247297 0.90 PTPN1 (0.56) PTPN1NPC1RAB9AHDAC3HDAC8
SCHEMBL21247170 0.89 PTPN1 (0.54) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL21247159 0.86 PTPN1 (0.56) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL21247262 0.86 PTPN1 (0.52) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL21247305 0.86 PTPN1 (0.52) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL22680795 0.85 PTPN1 (0.49) PTPN1NPC1RAB9AHDAC3HDAC8
SCHEMBL21247291 0.85 PTPN1 (0.54) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL21247184 0.84 PTPN1 (0.53) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL21247337 0.83 PTPN1 (0.68) PTPN1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492347-B2 Fused thiophene derivatives and their uses ENYO PHARMA (FR) 2022-11-08 — — US disclosed
EP-3749659-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 — — EP disclosed
US-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — US disclosed
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
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 (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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH PTPN1 1639/4885NPC1 407/4885RAB9A 1824/4885
US-11492347-B2 Fused thiophene derivatives and their uses FTH1, SLC40A1, FECH PTPN1 1639/4885NPC1 407/4885RAB9A 1824/4885

“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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