SCHEMBL3368358

SCHEMBL3368358

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@]2(C#N)c1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
USP30 Q70CQ3 1/20 0.39
DGAT1 O75907 1/20 0.39
FPR2 P25090 2/20 0.39
FPR3 P25089 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3368365 1.00 RORC (0.41) RORCCTSLCTSSUSP30DGAT1
SCHEMBL3404437 1.00 RORC (0.41) RORCCTSLCTSSUSP30DGAT1
SCHEMBL3368362 1.00 RORC (0.41) RORCCTSLCTSSUSP30DGAT1
SCHEMBL4436563 1.00 RORC (0.41) RORCCTSLCTSSUSP30DGAT1
SCHEMBL3368383 0.84 RORC (0.51) RORCUSP30FPR2FPR3GPR119
SCHEMBL3368376 0.84 RORC (0.51) RORCUSP30FPR2FPR3GPR119
SCHEMBL3368381 0.84 RORC (0.51) RORCUSP30FPR2FPR3GPR119
SCHEMBL7888577 0.83 GPR119 (0.47) RORCUSP30GPR119JAK2JAK1
SCHEMBL3368517 0.82 RORC (0.41) RORCCTSLCTSSUSP30DGAT1
SCHEMBL3368520 0.82 RORC (0.41) RORCCTSLCTSSUSP30DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY RORC 8/4885CTSL 1376/4885CTSS 2112/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY RORC 8/4885CTSL 1376/4885CTSS 2112/4885

“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.