SCHEMBL2227212

SCHEMBL2227212

Cc1cc(OCc2nccn2C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PPARG P37231 4/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GSTP1 P09211 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL10118944 0.82 MEN1 (0.63) KMT2AMEN1CASP3SENP8SENP6
Hydrochloric Acid SCHEMBL322268 0.81 MEN1 (0.62) KMT2AMEN1CASP3SENP8SENP6
SCHEMBL9071823 0.78 NR4A2 (0.56) KMT2AMEN1PPARG
SCHEMBL24484907 0.76 SLC26A4 (0.61) KMT2AMEN1CASP3SENP8SENP6
SCHEMBL29629839 0.76 SLC26A4 (0.61) KMT2AMEN1CASP3SENP8SENP6
SCHEMBL30965054 0.75 SMN1; SMN2 (0.39) KMT2AMEN1CYP4F2CYP4A11HSP90AA1
SCHEMBL2227214 0.75 MEN1 (0.60) KMT2AMEN1CASP3SENP8SENP6
SCHEMBL14174985 0.74 KMT2A (0.68) KMT2AMEN1CASP3SENP8SENP6
SCHEMBL1022035 0.74 MAOB (0.64) KMT2AMEN1
Benzene SCHEMBL28056879 0.74 MAOB (0.64) KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526116-B1 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN ST GEORGES HOSP MEDICAL SCHOOL (GB) 2015-05-13 EP disclosed
US-8637453-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2014-01-28 US disclosed
US-8541363-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use St George's Hosptial Medical School (GB) 2013-09-24 US disclosed
US-20130217617-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2013-08-22 US disclosed
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2012-12-20 US disclosed
WO-2011089396-A2 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE. ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2011-07-28 WO 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 (2 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-20130217617-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, DPP8 KMT2A 1046/4885MEN1 3048/4885CYP4F2 518/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD KMT2A 1240/4885MEN1 3515/4885CYP4F2 420/4885

“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.