SCHEMBL21247202

SCHEMBL21247202

CC1(C)CCc2sc(NC(=O)c3ccc(Br)cc3)c(C(=O)O)c2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.68
▸ NOD1 Q9Y239 3/20 0.68
▸ RAB7A P51149 2/20 0.66
▸ FLT3 P36888 1/20 0.55
▸ MAPT P10636 9/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ GRIN2C Q14957 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ KLF5 Q13887 1/20 0.54
▸ THRB P10828 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ESR2 Q92731 1/20 0.53

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
SCHEMBL21247382 0.90 RAB7A (0.80) TNFNOD1RAB7AFLT3MAPT
SCHEMBL21247218 0.89 MAPT (0.60) TNFNOD1RAB7AFLT3MAPT
SCHEMBL19321160 0.85 RAB7A (0.62) TNFNOD1RAB7AMAPTMEN1
SCHEMBL19325776 0.84 RAB7A (0.61) TNFNOD1RAB7AFLT3MAPT
SCHEMBL21247252 0.83 RAB7A (0.59) TNFNOD1RAB7AMAPTMEN1
SCHEMBL21261032 0.82 RAB7A (0.60) TNFNOD1RAB7AMAPTMEN1
SCHEMBL21247188 0.82 NOD1 (0.71) TNFNOD1RAB7AFLT3MAPT
SCHEMBL22680862 0.82 MEN1 (0.69) TNFNOD1RAB7AFLT3MAPT
SCHEMBL21247283 0.82 TNF (0.61) TNFNOD1RAB7AFLT3MAPT
SCHEMBL21247392 0.81 RAB7A (0.68) TNFNOD1RAB7AFLT3MAPT

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 8 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
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-09 — — US 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 (3 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 TNF 1354/4885NOD1 410/4885RAB7A 2283/4885
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy FOLH1, DNPEP, ENPEP TNF 1142/4885NOD1 3058/4885RAB7A 3638/4885
US-11492347-B2 Fused thiophene derivatives and their uses FTH1, SLC40A1, FECH TNF 1354/4885NOD1 410/4885RAB7A 2283/4885

“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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