SCHEMBL4876647

SCHEMBL4876647

COc1cccc([C@]2(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
BTK Q06187 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4876658 1.00 NPC1 (0.46) NPC1RAB9ABTKKMT2AMEN1
SCHEMBL4872108 0.91 BTK (0.45) NPC1RAB9ABTKKMT2AMEN1
SCHEMBL4872111 0.91 BTK (0.45) NPC1RAB9ABTKKMT2AMEN1
SCHEMBL4876580 0.80 BTK (0.41) NPC1RAB9ABTKKMT2AMEN1
SCHEMBL4876564 0.80 BTK (0.41) NPC1RAB9ABTKKMT2AMEN1
SCHEMBL1465003 0.78 KMT2A (0.50) KMT2AMEN1KDM1AALDH1A1ADAM17
SCHEMBL4877603 0.77 OPRM1 (0.46) NPC1RAB9AKMT2AMEN1ALOX15
SCHEMBL4876357 0.77 OPRM1 (0.46) NPC1RAB9AKMT2AMEN1ALOX15
SCHEMBL4876349 0.77 OPRM1 (0.46) NPC1RAB9AKMT2AMEN1ALOX15
SCHEMBL6458501 0.76 ALDH1A1 (0.58) NPC1RAB9ABTKKMT2AMEN1

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 NPC1 239/4885RAB9A 4340/4885BTK 1291/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 NPC1 12/4885RAB9A 1776/4885BTK 2106/4885

“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.