SCHEMBL2992087

SCHEMBL2992087

CCOc1ccc(C(N)CC(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
POLB P06746 1/20 0.50
ACHE P22303 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PAX8 Q06710 1/20 0.46
HIF1A Q16665 1/20 0.46
TNF P01375 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL2989854 0.94 PDE4A (0.59) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL21494482 0.94 PDE4A (0.59) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL21494493 0.94 PDE4A (0.59) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
Hydrochloric Acid SCHEMBL21494466 0.93 PDE4A (0.58) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
Hydrochloric Acid SCHEMBL21494464 0.93 PDE4A (0.58) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
Hydrochloric Acid SCHEMBL23000633 0.93 PDE4A (0.58) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL6693234 0.93 PDE4A (0.50) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
Hydrochloric Acid SCHEMBL28323446 0.92 PDE4A (0.49) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL30540379 0.90 ACHE (0.59) ALDH1A1SMN1; SMN2KMT2APDE4APDE4B
SCHEMBL4671897 0.90 ACHE (0.59) ALDH1A1SMN1; SMN2KMT2APDE4APDE4B

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 ALDH1A1 1039/4885SMN1; SMN2 2069/4885TSHR 1213/4885

“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.