SCHEMBL23432978

SCHEMBL23432978

C[C@H](NC(=O)CNC(=O)CCOCCON1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ ROCK1 Q13464 1/20 0.30
▸ MYLK4 Q86YV6 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA4 P22748 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ ADCY6 O43306 1/20 0.30
▸ ADCY3 O60266 1/20 0.30
▸ ADCY9 O60503 1/20 0.30
▸ ADCY5 O95622 1/20 0.30
▸ ADCY8 P40145 1/20 0.30
▸ GCGR P47871 1/20 0.30
▸ ADCY7 P51828 1/20 0.30

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
SCHEMBL23071798 0.89 MGLL (0.37) NPC1RAB9ASMN1; SMN2NAMPTS1PR1
SCHEMBL23432977 0.86 MEN1 (0.33) NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL20402344 0.86 CA12 (0.36) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL23961617 0.86 CA12 (0.36) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL20402342 0.85 NAMPT (0.40) NPC1RAB9ASMN1; SMN2NAMPTS1PR1
SCHEMBL23071957 0.84 NPC1 (0.38) NPC1RAB9ASMN1; SMN2S1PR1ROCK1
SCHEMBL24087858 0.83 OPRK1 (0.35) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL23071941 0.82 CA12 (0.40) NPC1RAB9ASMN1; SMN2S1PR1CA12
SCHEMBL19026314 0.79 CA12 (0.36) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL22147094 0.78 KMT2A (0.41) RAB9ASMN1; SMN2

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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 — — 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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL NPC1 15/4885RAB9A 1424/4885SMN1; SMN2 3355/4885

“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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