SCHEMBL632529

SCHEMBL632529

CC(C)(C)OC(=O)c1sccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
AKT1 P31749 1/20 0.34
ATM Q13315 2/20 0.33
HPGD P15428 2/20 0.33
CASP3 P42574 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4730278 0.84 KMT2A (0.36) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL158675 0.81 KMT2A (0.54) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL11389305 0.81 FABP4 (0.37) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL13141391 0.81 KMT2A (0.35) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL13141386 0.80 CTSS (0.36) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL5247962 0.79 MAPT (0.47) KMT2AALDH1A1NPC1CYP1A2MEN1
SCHEMBL5725289 0.78 POLB (0.46) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL632902 0.76 PKM (0.49) ALDH1A1NPC1L3MBTL1RAB9AATM
SCHEMBL17067451 0.76 LMNA (0.33) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL7546589 0.75 MAPK8 (0.41) KMT2AALDH1A1LMNACYP1A2MEN1

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
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 KMT2A 4760/4885ALDH1A1 624/4885NPC1 470/4885

“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.