SCHEMBL27127787

SCHEMBL27127787

CC(C)CC(Cc1nccs1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.44
▸ CYP3A4 P08684 5/20 0.43
▸ HSPA5 P11021 1/20 0.41
▸ HSPA2 P54652 1/20 0.41
▸ ACACB O00763 1/20 0.39
▸ FFAR2 O15552 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ GCK P35557 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ ADORA2A P29274 1/20 0.36

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
SCHEMBL26965355 1.00 FDPS (0.44) FDPSCYP3A4HSPA5HSPA2ACACB
SCHEMBL9849647 0.84 HSPA5 (0.43) FDPSCYP3A4HSPA5HSPA2ACACB
SCHEMBL29637208 0.80 CYP3A4 (0.56) CYP3A4
SCHEMBL5869892 0.76 FDPS (0.43) FDPSHSPA5HSPA2FFAR2ALDH1A1
SCHEMBL26965347 0.74 NPC1 (0.37) ALDH1A1LMNA
SCHEMBL27135267 0.74 NPC1 (0.37) ALDH1A1LMNA
SCHEMBL13370727 0.73 FDPS (0.53) FDPSACACBPKMALDH1A1LMNA
SCHEMBL29675493 0.73 ACACB (0.59) FDPSACACBALDH1A1
SCHEMBL104654 0.72 — —
SCHEMBL7179963 0.71 FDPS (0.44) FDPSCYP3A4HSPA5ACACBFFAR2

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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 — — 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS FDPS 700/4885CYP3A4 4041/4885HSPA5 2192/4885

“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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