SCHEMBL2994556

SCHEMBL2994556

COC(=O)CC(N)c1sccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2985227 0.82 ALOX5 (0.47) ALOX5CYP1A2SMN1; SMN2GSK3BMAPT
SCHEMBL24440385 0.77 MAPT (0.36) ALOX5KMT2ACYP1A2MEN1MAPT
SCHEMBL6480926 0.76 ALOX5 (0.37) ALOX5KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL13118152 0.76 ESR1 (0.38) ALOX5KMT2ACYP1A2MEN1MAPT
Hydrochloric Acid SCHEMBL5214794 0.74 ALOX5 (0.46) ALOX5CYP1A2SMN1; SMN2HPGDGSK3B
SCHEMBL13792082 0.74 ALOX5 (0.43) ALOX5KMT2ACYP1A2MEN1SMN1; SMN2
SCHEMBL1520244 0.73 ALOX5 (0.43) ALOX5KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL1143873 0.73 ALOX5 (0.43) ALOX5KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL14662635 0.72 ESR1 (0.46) ALDH1A1
SCHEMBL12261609 0.72 ALOX5 (0.42) ALOX5GSK3BALDH1A1PKM

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 ALOX5 242/4885KMT2A 4801/4885CYP1A2 2480/4885

“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.