SCHEMBL4872108

SCHEMBL4872108

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.45
ADAM17 P78536 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 1/20 0.40
DRD2 P14416 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4872111 1.00 BTK (0.45) BTKADAM17NPC1RAB9AMEN1
SCHEMBL4876658 0.91 NPC1 (0.46) BTKADAM17NPC1RAB9AMEN1
SCHEMBL4876647 0.91 NPC1 (0.46) BTKADAM17NPC1RAB9AMEN1
SCHEMBL16905863 0.81 KDM1A (0.42) BTKKMT2AKDM1AMAOBALDH1A1
SCHEMBL4872683 0.80 ADAM17 (0.52) ADAM17NPC1RAB9AMEN1KMT2A
SCHEMBL27736564 0.79 ADAM17 (0.56) ADAM17MEN1KMT2AKDM1AALDH1A1
SCHEMBL4876580 0.78 BTK (0.41) BTKADAM17NPC1RAB9AMEN1
SCHEMBL4876564 0.78 BTK (0.41) BTKADAM17NPC1RAB9AMEN1
SCHEMBL31382470 0.78 TSHR (0.50) ADAM17MEN1KMT2AALDH1A1
SCHEMBL20129612 0.77 MTNR1A (0.56) BTKMEN1KMT2AALDH1A1CYP1A2

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 BTK 1291/4885ADAM17 4084/4885NPC1 239/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 BTK 2106/4885ADAM17 3517/4885NPC1 12/4885

“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.