SCHEMBL2996725

SCHEMBL2996725

COc1cc(C(CC(=O)O)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.48
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
F7 P08709 2/20 0.47
PRSS2 P07478 1/20 0.47
F3 P13726 1/20 0.47
PRSS3 P35030 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL2996643 0.93 POLB (0.51) POLBSMN1; SMN2KMT2ALMNAF2
SCHEMBL2995448 0.89 NPSR1 (0.49) POLBSMN1; SMN2KMT2ALMNAF2
SCHEMBL3350832 0.88 POLB (0.61) POLBSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL2987962 0.88 NPSR1 (0.48) POLBSMN1; SMN2KMT2ALMNAF2
SCHEMBL2996641 0.84 SYK (0.48) POLBSMN1; SMN2KMT2AF2F10
SCHEMBL536928 0.83 SMN1; SMN2 (0.62) POLBSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL13802917 0.83 FFAR1 (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL5205611 0.83 FFAR1 (0.53) SMN1; SMN2NPC1RAB9A
SCHEMBL21271453 0.81 POLB (0.49) POLBSMN1; SMN2KMT2A
SCHEMBL20139043 0.81 POLB (0.49) POLBSMN1; SMN2KMT2A

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-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 POLB 2466/4885SMN1; SMN2 2069/4885KMT2A 4801/4885

“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.