SCHEMBL4941806

SCHEMBL4941806

COc1ccc(CO/N=C2\C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.41
MMP3 P08254 3/20 0.41
MMP7 P09237 3/20 0.41
MMP2 P08253 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
MMP13 P45452 1/20 0.40
AGTR2 P50052 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL4941809 1.00 MMP1 (0.41) MMP1MMP3MMP7MMP2HDAC8
SCHEMBL4943086 0.89 MMP1 (0.44) MMP1MMP3MMP7HDAC8MMP13
SCHEMBL4943089 0.89 MMP1 (0.44) MMP1MMP3MMP7HDAC8MMP13
SCHEMBL7215367 0.88 ATM (0.38) MMP1MMP3MMP7MMP13AGTR2
SCHEMBL4949464 0.84 OPRK1 (0.46) ALDH1A1OPRM1OPRK1KDM1A
SCHEMBL4949451 0.84 OPRK1 (0.46) ALDH1A1OPRM1OPRK1KDM1A
SCHEMBL20741005 0.80 KLK7 (0.44) MMP1MMP3MMP7HDAC8MMP13
SCHEMBL20741003 0.80 KLK7 (0.44) MMP1MMP3MMP7HDAC8MMP13
SCHEMBL19209005 0.80 KLK7 (0.44) MMP1MMP3MMP7HDAC8MMP13
SCHEMBL4936035 0.80 MMP1 (0.36) MMP1MMP3MMP7MMP2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 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 (5 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR MMP1 4697/4885MMP3 4269/4885MMP7 2738/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MMP1 4703/4885MMP3 4253/4885MMP7 2409/4885
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF MMP1 3569/4885MMP3 2045/4885MMP7 3322/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 MMP1 4151/4885MMP3 2263/4885MMP7 3631/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MMP1 4354/4885MMP3 4717/4885MMP7 4113/4885

“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.