SCHEMBL22681002

SCHEMBL22681002

CC1(C)CCc2sc(NC(O)c3cc[nH]n3)c(C(=O)O)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB7A P51149 1/20 0.48
▸ FABP4 P15090 7/20 0.41
▸ FABP5 Q01469 7/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLO1 Q04760 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22680878 0.83 RAB7A (0.48) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21247496 0.82 RAB7A (0.57) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL22680875 0.78 RAB7A (0.48) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL22680796 0.73 NOD1 (0.40) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21260980 0.73 RAB7A (0.58) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21247292 0.73 RAB7A (0.54) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21259035 0.73 MAPT (0.49) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21247382 0.72 RAB7A (0.80) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21247258 0.71 RAB7A (0.57) RAB7AFABP4FABP5KIF11MAPT
SCHEMBL21261032 0.70 RAB7A (0.60) RAB7AFABP4FABP5KIF11MAPT

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 1 patent. 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

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 RAB7A 2283/4885FABP4 331/4885FABP5 350/4885

“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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