SCHEMBL2995320

SCHEMBL2995320

NC(CC(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
LTA4H P09960 4/20 0.61
FFAR1 O14842 4/20 0.61
PARP10 Q53GL7 1/20 0.56
ALOX5 P09917 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MMP12 P39900 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL5720973 1.00 KMT2A (0.72) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
Hydrochloric Acid SCHEMBL5207164 0.98 KMT2A (0.71) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
SCHEMBL2985256 0.86 MAOB (0.56) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
Hydrochloric Acid SCHEMBL6160160 0.85 KMT2A (0.54) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
Hydrochloric Acid SCHEMBL8324561 0.85 MAOB (0.55) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
Hydrochloric Acid SCHEMBL6158979 0.85 MAOB (0.55) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
SCHEMBL8182251 0.84 FFAR1 (0.66) KMT2ASMN1; SMN2LTA4HFFAR1NR4A1
SCHEMBL3983305 0.84 FFAR1 (0.64) KMT2ASMN1; SMN2LTA4HFFAR1NR4A1
SCHEMBL8771189 0.83 FFAR1 (0.63) KMT2ASMN1; SMN2LTA4HFFAR1PARP10
SCHEMBL10317574 0.83 FFAR1 (0.63) KMT2ASMN1; SMN2LTA4HFFAR1PARP10

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 9 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
WO-2010006954-A1 NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS DSM IP ASSETS B.V. (NL) 2010-01-21 WO 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
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
US-20050137408-A1 Process for producing aminoepoxide AJINOMOTO CO. INC (JP) 2005-06-23 US disclosed
EP-1505065-A1 PROCESS FOR PRODUCING AMINOEPOXIDE Ajinomoto Co., Inc. (JP) 2005-02-09 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 (3 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 KMT2A 4127/4885SMN1; SMN2 3856/4885LTA4H 1329/4885
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 KMT2A 4801/4885SMN1; SMN2 2069/4885LTA4H 1066/4885
US-20050137408-A1 Process for producing aminoepoxide HAO2, DAO, HAAO KMT2A 745/4885SMN1; SMN2 1572/4885LTA4H 220/4885

“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.