SCHEMBL2995448

SCHEMBL2995448

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 3/20 0.48
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
F7 P08709 3/20 0.46
PRSS2 P07478 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 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
SCHEMBL2987962 0.91 NPSR1 (0.48) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2996725 0.89 POLB (0.60) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2996643 0.88 POLB (0.51) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2998889 0.82 NPSR1 (0.51) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7134086 0.80 CA1 (0.54) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2995445 0.78 HPGD (0.53) SMN1; SMN2KMT2APOLBMEN1F2
SCHEMBL56698 0.78 CTSK (0.53) MAPTCTSL
SCHEMBL4353938 0.78 CTSK (0.53) MAPTCTSL
SCHEMBL56596 0.78 CTSK (0.53) MAPTCTSL
SCHEMBL2996641 0.77 SYK (0.48) SMN1; SMN2KMT2APOLBMEN1F2

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 NPSR1 173/4885LMNA 3369/4885MAPT 4812/4885

“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.