SCHEMBL2995618

SCHEMBL2995618

COc1ccc(C(N)CC(=O)O)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 2/20 0.62
SMPD1 P17405 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
F2 P00734 2/20 0.52
F10 P00742 2/20 0.52
PRSS1 P07477 2/20 0.52
F7 P08709 2/20 0.52
PRSS2 P07478 1/20 0.52
F3 P13726 1/20 0.52
PRSS3 P35030 1/20 0.52
POLB P06746 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL2989926 0.95 KMT2A (0.62) SMN1; SMN2KMT2AF2F10PRSS1
SCHEMBL2990764 0.90 SMPD1 (0.55) SMN1; SMN2KMT2ASMPD1HDAC1HDAC8
SCHEMBL2998414 0.89 F2 (0.56) SMN1; SMN2KMT2ASMPD1HDAC1HDAC8
SCHEMBL2997643 0.85 F2 (0.55) SMN1; SMN2KMT2ASMPD1HDAC1HDAC8
SCHEMBL30540379 0.85 ACHE (0.59) SMN1; SMN2KMT2APOLBPDE4APDE4B
SCHEMBL5720955 0.85 ACHE (0.59) SMN1; SMN2KMT2APOLBPDE4APDE4B
SCHEMBL4671897 0.85 ACHE (0.59) SMN1; SMN2KMT2APOLBPDE4APDE4B
SCHEMBL2991798 0.85 ACHE (0.59) SMN1; SMN2KMT2APOLBPDE4APDE4B
SCHEMBL2992009 0.84 F2 (0.54) SMN1; SMN2KMT2ASMPD1HDAC1HDAC8
SCHEMBL21494482 0.84 PDE4A (0.59) SMN1; SMN2KMT2APOLBPDE4APDE4B

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 SMN1; SMN2 2069/4885KMT2A 4801/4885SMPD1 377/4885

“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.