SCHEMBL1189285

SCHEMBL1189285

COC(=O)C1(N(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RORC P51449 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL2906426 0.99 ABCB1 (0.44) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL2906427 0.97 ABCB1 (0.44) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL2906265 0.92 ABCB1 (0.40) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL15114465 0.89 ALDH1A1 (0.45) ABCB1ALDH1A1MAPTHPGDDDB1
SCHEMBL15079557 0.88 ALDH1A1 (0.44) ALDH1A1SIGMAR1MAPTHPGDRORC
SCHEMBL20582129 0.87 ALDH1A1 (0.49) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL1188911 0.82 CTSL (0.56) ALDH1A1OPRK1
SCHEMBL19031238 0.82 ALDH1A1 (0.46) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL3991791 0.82 ALDH1A1 (0.46) ABCB1ALDH1A1SIGMAR1MAPTHPGD
SCHEMBL2746329 0.81 RORC (0.43) ABCB1ALDH1A1SIGMAR1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO 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 (3 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS ABCB1 1406/4885ALDH1A1 985/4885SIGMAR1 2945/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ABCB1 17/4885ALDH1A1 2257/4885SIGMAR1 598/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ABCB1 1826/4885ALDH1A1 1567/4885SIGMAR1 1138/4885

“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.