SCHEMBL1437447

SCHEMBL1437447

CCOC(=O)C(CC(=O)OC(C)(C)C)(Cc1ccc(I)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.46
PTPN1 P18031 1/20 0.46
ACP1 P24666 1/20 0.46
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.35
OPRK1 P41145 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33

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
SCHEMBL3285475 0.86 PTPRB (0.43) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL14122862 0.83 ALDH1A1 (0.45) PTPRBPTPN1ACP1ALDH1A1LMNA
SCHEMBL3957324 0.82 CNR2 (0.41) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL25337270 0.82 PTPN1 (0.43) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL3282520 0.82 PTPRB (0.41) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL27619089 0.80 PTPRB (0.40) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL27619390 0.80 PTPRB (0.40) PTPRBPTPN1ACP1MMP8PKM
SCHEMBL3285701 0.79 PTPRB (0.39) PTPRBPTPN1ACP1MMP8ALDH1A1
SCHEMBL3285484 0.78 PTPRB (0.39) PTPRBPTPN1ACP1ALDH1A1LMNA
SCHEMBL458395 0.77 MMP8 (0.57) PTPRBPTPN1ACP1MMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
EP-2470514-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-07-04 EP disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 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-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS MMP3, MMP11, TIMP3 PTPRB 1942/4885PTPN1 1930/4885ACP1 2080/4885

“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.