SCHEMBL5981841

SCHEMBL5981841

O=C(OCc1ccccc1)C(O)CC1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
CASP1 P29466 1/20 0.43

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
SCHEMBL13017759 1.00 CTSB (0.49) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL7442293 1.00 CTSB (0.49) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL8096746 0.98 CYP3A4 (0.49) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL8096744 0.98 CYP3A4 (0.49) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL7306189 0.92 CYP2C19 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL7306184 0.92 CYP2C19 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL6479809 0.84 IDO1 (0.52) CTSBCTSSCTSKCTSLCYP3A4
Hydrochloric Acid SCHEMBL7297833 0.83 IDO1 (0.51) CTSBCTSSCTSKCTSLCYP3A4
Hydrochloric Acid SCHEMBL3825774 0.83 IDO1 (0.51) CTSBCTSSCTSKCTSLCYP3A4
SCHEMBL6473457 0.82 IDO1 (0.53) CTSBCTSSCTSKCTSLCYP3A4

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-1425009-A4 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION IVAX INST FOR DRUG RES LTD (HU) 2006-10-25 EP disclosed
US-20050070480-A1 Peptide arginals and methods for treating disseminated intravascular coagulation IVAX DRUG RESEARCH INSTITUTE LTD. (HU) 2005-03-31 US disclosed
EP-1425009-A2 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION Ivax Institute for Drug Research, Ltd. (HU) 2004-06-09 EP disclosed
WO-2003016273-A2 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION IVAX CORPORATION (US) 2003-02-27 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-20050070480-A1 Peptide arginals and methods for treating disseminated intravascular coagulation ARGLU1, PLAT, SERPINC1 CTSB 369/4885CTSS 590/4885CTSK 554/4885

“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.