SCHEMBL644988

SCHEMBL644988

O=C(Nc1ccc(C(=O)O)cc1)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 3/20 0.40
RCOR1 Q9UKL0 2/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8541013 0.89 ENPP2 (0.47) PNMTSRD5A2ALDH1A1CYP1A2HPGD
SCHEMBL8472728 0.87 PNMT (0.44) PNMTALDH1A1CYP1A2HPGDNPC1
SCHEMBL7428664 0.87 ENPP2 (0.49) PNMTALDH1A1NPC1RAB9AENPP2
SCHEMBL30927569 0.86 SRD5A2 (0.45) PNMTSRD5A2ALDH1A1CYP1A2HPGD
SCHEMBL2489956 0.84 EPHX1 (0.47) PNMTSRD5A2KMT2AEPHX2TPSAB1
SCHEMBL29222741 0.83 NPC1 (0.48) PNMTALDH1A1HPGDNPC1RAB9A
SCHEMBL6502789 0.83 PNMT (0.54) PNMTSRD5A2ALDH1A1CYP1A2NPC1
SCHEMBL31633620 0.81 PNMT (0.53) PNMTSRD5A2ALDH1A1CYP1A2NPC1
SCHEMBL27703872 0.80 PNMT (0.51) PNMTSRD5A2ALDH1A1CYP1A2NPC1
SCHEMBL6380799 0.79 PNMT (0.50) PNMTALDH1A1CYP1A2NPC1RAB9A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
EP-2560690-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-02-27 EP disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
WO-2011131735-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2011-10-27 WO disclosed
EP-2380596-A1 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-6162790-A OLIGOPEPTIDES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
CN-1229412-A Interleukin-1 beta converting enzyme inhibitors VERTEX PHARMA (US) 1999-09-22 CN disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed
CN-1207743-A Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMA (US) 1999-02-10 CN disclosed
US-5843904-A Inhibitors of interleukin-1βconverting enzyme VERTEX PHARMACEUTICALS, INC. (US) 1998-12-01 US disclosed
EP-0876395-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-11-11 EP disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022618-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B PNMT 4006/4885SRD5A2 2839/4885ALDH1A1 422/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B PNMT 4006/4885SRD5A2 2839/4885ALDH1A1 422/4885
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 PNMT 4474/4885SRD5A2 389/4885ALDH1A1 2434/4885

“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.