SCHEMBL12741017

SCHEMBL12741017

CC#CCNC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ ALB P02768 2/20 0.60
▸ SLC5A2 P31639 2/20 0.57
▸ ESR1 P03372 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTRA2 O43464 6/20 0.54
▸ HTRA1 Q92743 6/20 0.54
▸ CA9 Q16790 1/20 0.51
▸ AVPR2 P30518 1/20 0.50
▸ OXTR P30559 1/20 0.50
▸ AVPR1A P37288 1/20 0.50

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
SCHEMBL13327114 0.93 FOLH1 (0.53) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL3289756 0.92 FOLH1 (0.62) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL16295184 0.88 FOLH1 (0.68) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL22384710 0.88 FOLH1 (0.63) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL21476997 0.87 FOLH1 (0.61) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL14820144 0.86 FOLH1 (0.59) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL13287065 0.86 USP2 (0.60) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL3289758 0.86 ALB (0.55) FOLH1ALBSLC5A2ESR1USP2
SCHEMBL15130552 0.85 USP2 (0.62) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL10035688 0.84 FOLH1 (0.58) FOLH1ALBSLC5A2ESR1USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910698-B2 NPC1L1 orthologues SCHERING CORPORATION (US) 2011-03-22 — — US disclosed
US-7723020-B2 Use of azetidinone compounds SCHERING CORPORATION (US) 2010-05-25 — — US disclosed
US-20090098128-A1 NPC1L1 orthologues MERCK SHARP & DOHME CORP. 2009-04-16 — — US disclosed
US-20070105141-A1 Use of azetidinone compounds SCHERING CORPORATION (US) 2007-05-10 — — 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 (2 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-20070105141-A1 Use of azetidinone compounds NPC1L1, NPC1, CYP46A1 FOLH1 2500/4885ALB 2759/4885SLC5A2 1050/4885
US-20090098128-A1 NPC1L1 orthologues NPC1L1, NPC1, CETP FOLH1 1671/4885ALB 4289/4885SLC5A2 2977/4885

“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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