SCHEMBL2997844

SCHEMBL2997844

COc1cc(C(N)CC(=O)Nc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.55
F10 P00742 3/20 0.55
PRSS1 P07477 3/20 0.55
F7 P08709 3/20 0.55
PRSS2 P07478 1/20 0.55
F3 P13726 1/20 0.55
PRSS3 P35030 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
LTA4H P09960 1/20 0.51
HPGD P15428 2/20 0.50

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
SCHEMBL2992009 0.89 F2 (0.54) F2F10PRSS1F7PRSS2
SCHEMBL2997643 0.87 F2 (0.55) F2F10PRSS1F7PRSS2
SCHEMBL2989926 0.87 KMT2A (0.62) F2F10PRSS1F7PRSS2
SCHEMBL2985384 0.87 MTNR1A (0.53) F2F10PRSS1F7PRSS2
SCHEMBL2998414 0.86 F2 (0.56) F2F10PRSS1F7PRSS2
SCHEMBL2994376 0.83 APP (0.54) F2F10PRSS1F7PRSS2
SCHEMBL2990764 0.83 SMPD1 (0.55) F2F10PRSS1F7PRSS2
SCHEMBL2995618 0.82 SMN1; SMN2 (0.62) F2F10PRSS1F7PRSS2
SCHEMBL2987998 0.81 APP (0.63) F2F10PRSS1F7PRSS2
SCHEMBL2997847 0.81 F2 (0.48) F2F10PRSS1F7PRSS2

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-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 F2 1075/4885F10 667/4885PRSS1 1180/4885

“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.