SCHEMBL2695840

SCHEMBL2695840

CCC(C)OP(=O)(O)Cc1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL31165528 0.81 ALDH1A1 (0.45) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL917066 0.81 HTT (0.37) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5870680 0.78 FDPS (0.43) KMT2AMEN1
SCHEMBL915243 0.77 PGK1 (0.37) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL915165 0.77 ESR1 (0.38) MAPTKMT2ALMNAMEN1
SCHEMBL1760139 0.76 PGK1 (0.36)
SCHEMBL4903448 0.76 CYP19A1 (0.41) ALDH1A1RAB9AMAPTLMNAPKM
SCHEMBL1334895 0.76 FPR2 (0.38) ALDH1A1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL4633893 0.76 TRPA1 (0.40) ALDH1A1PPARGLMNA
SCHEMBL915104 0.76 FDPS (0.40) ALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2635560-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
WO-2012059371-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 ALDH1A1 607/4885RAB9A 1231/4885L3MBTL1 4348/4885
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 ALDH1A1 595/4885RAB9A 1190/4885L3MBTL1 4331/4885

“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.