SCHEMBL4978207

SCHEMBL4978207

COC(=O)c1cccc(OCCI)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
TP53 P04637 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
SMPD1 P17405 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49

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
SCHEMBL2809134 0.92 ALDH1A1 (0.55) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL27956214 0.87 MRGPRX4 (0.56) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL6283857 0.86 CYP4F2 (0.58) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL385706 0.86 RAB9A (0.59) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL2340354 0.86 KMT2A (0.71) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL4506029 0.85 L3MBTL1 (0.60) MAPTRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL31536904 0.84 SMPD1 (0.63) MAPTRAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL6811204 0.84 SMPD1 (0.63) MAPTRAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL2087816 0.84 ALDH1A1 (0.56) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL72899 0.84 MRGPRX4 (0.57) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS MAPT 4532/4885RAB9A 710/4885MRGPRX4 2290/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS MAPT 4416/4885RAB9A 1085/4885MRGPRX4 2182/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB MAPT 4622/4885RAB9A 964/4885MRGPRX4 1383/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB MAPT 4622/4885RAB9A 964/4885MRGPRX4 1383/4885

“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.