SCHEMBL3043065

SCHEMBL3043065

CCCCOC(=O)[C@@]1(C)CO1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSEN1 P49768 3/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.37
ESR1 P03372 1/20 0.37
EPHX1 P07099 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
SCHEMBL3807047 1.00 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL14967650 0.94 TSHR (0.46) ALDH1A1TSHRPSEN1HCAR2NAAA
SCHEMBL11158310 0.93 TSHR (0.49) ALDH1A1TSHRPSEN1HCAR2NAAA
SCHEMBL14967788 0.93 TSHR (0.49) ALDH1A1TSHRPSEN1HCAR2NAAA
SCHEMBL1728051 0.88 SMN1; SMN2 (0.36) ALDH1A1ATMTSHRLMNASMN1; SMN2
SCHEMBL5072698 0.85 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL5075328 0.80 NAAA (0.43) ALDH1A1TSHRPSEN1HCAR2NAAA
SCHEMBL7931332 0.80 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL9206727 0.79
SCHEMBL14967664 0.79 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
EP-1478629-B1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN CO LLC (US) 2006-10-11 EP disclosed
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-6919329-B2 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-07-19 US disclosed
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 US disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (4 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-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALDH1A1 956/4885ATM 4474/4885TSHR 3131/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALDH1A1 956/4885ATM 4474/4885TSHR 3131/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 ALDH1A1 1622/4885ATM 2963/4885TSHR 3867/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 ALDH1A1 956/4885ATM 4474/4885TSHR 3131/4885

“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.