SCHEMBL6607338

SCHEMBL6607338

CC(C)(C)OC(=O)C1(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MGLL Q99685 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL6610098 0.90 MGLL (0.47) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL1769345 0.88 NPC1 (0.48) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6611121 0.84 RAB9A (0.45) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL29510843 0.81 POLB (0.46) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL13193091 0.79 MGLL (0.51) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL3752705 0.79 MGLL (0.51) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6610001 0.78 TP53 (0.51) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6608578 0.77 MGLL (0.54) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL591401 0.77 MGLL (0.59) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL7043026 0.75 POLB (0.62) SMN1; SMN2TSHRNPC1ALDH1A1TP53

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
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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 (1 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 SMN1; SMN2 3687/4885TSHR 1666/4885NPC1 1524/4885

“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.