SCHEMBL2059409

SCHEMBL2059409

COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)OC)N(C(=O)c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
GRIN2B Q13224 1/20 0.39
DHFR P00374 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL12589770 0.92 TSHR (0.40) MMP2NPC1TSHRKMT2ASMN1; SMN2
SCHEMBL2059262 0.83 MMP2 (0.41) MMP2TSHRKMT2ASMN1; SMN2RECQL
SCHEMBL2059410 0.81 LMNA (0.47) NPC1TSHRKMT2ASMN1; SMN2MAPT
SCHEMBL15719248 0.80 MMP2 (0.47) MMP2KMT2AGRIN2B
SCHEMBL2059323 0.79 MMP2 (0.41) MMP2KMT2AMAPTMEN1DHFR
SCHEMBL26529540 0.77 ALDH1A1 (0.45) MMP2TSHRPDE4B
SCHEMBL12589774 0.77 CYP2D6 (0.38) MMP2TSHRKMT2ASMN1; SMN2RECQL
SCHEMBL8132886 0.76 KMT2A (0.60) MMP2TSHRKMT2ASMN1; SMN2RECQL
SCHEMBL10390327 0.76 KMT2A (0.60) MMP2TSHRKMT2ASMN1; SMN2RECQL
SCHEMBL6196385 0.76 KMT2A (0.60) MMP2TSHRKMT2ASMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 EP 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 MMP2 1780/4885NPC1 2023/4885TSHR 4643/4885

“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.