SCHEMBL26097035

SCHEMBL26097035

CC(C)(C)OC(=O)N1CC2C(CSc3nc4ccccc4s3)C2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HPGD P15428 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 2/20 0.46
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GPR119 Q8TDV5 2/20 0.45
HTT P42858 2/20 0.44
ALOX5 P09917 2/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.43
CTSK P43235 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL26505371 1.00 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4768370 0.77 GPR119 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL14768643 0.76 SMN1; SMN2 (0.53) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9947911 0.76 GPR119 (0.51) ALDH1A1SMN1; SMN2MAPTLMNARECQL
SCHEMBL3606682 0.76 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1834020 0.76 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1834024 0.76 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL18797553 0.75 HPGD (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL20565781 0.75 HPGD (0.51) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19385934 0.74 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same INORBIT THERAPEUTICS AB (SE) 2023-05-04 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-20230135552-A1 Compounds Useful In Inhibiting Ketohexokinase And Methods Of Making And Using The Same KHK, GCK, HK1 ALDH1A1 821/4885HPGD 279/4885SMN1; SMN2 2761/4885

“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.