SCHEMBL14801949

SCHEMBL14801949

CC(C)(c1ccc(-c2ccccc2)cc1)N(CCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.38
KIF11 P52732 2/20 0.38
DNMT1 P26358 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL30957375 0.76 KMT2A (0.43) CYP2C9MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL25262749 0.70 MAPT (0.40) CYP2C9MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL13526142 0.70 TACR1 (0.47) CYP2C9MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL246225 0.68 MEN1 (0.34) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL4068261 0.68 SLC6A2 (0.41) CYP2C9ALOX5MAPTKMT2ASMN1; SMN2
SCHEMBL13526144 0.68 POLB (0.46) MAPTKMT2ASMN1; SMN2
SCHEMBL11489715 0.67 CYP2C9 (0.44) CYP2C9CYP2C19KIF11
Hydrochloric Acid SCHEMBL12487855 0.67 KDM4E (0.37) KMT2AMEN1KDM4EL3MBTL1HTT
Bicarbonate SCHEMBL27587346 0.67 CYP2C9 (0.57) CYP2C9PTGESALOX5MAPTKMT2A
SCHEMBL9245412 0.67 KIF11 (0.48) CYP2C9CYP3A4KIF11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY (US) 2013-03-28 US 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-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT CYP2C9 663/4885PTGES 823/4885ALOX5 1004/4885

“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.