SCHEMBL2402472

SCHEMBL2402472

COC(=O)[C@H](Cc1ccc(OC)c(I)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KYNU Q16719 1/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 1/20 0.50
CTSK P43235 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
OPRK1 P41145 1/20 0.48
TACR1 P25103 2/20 0.48

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
SCHEMBL28586890 1.00 ALDH1A1 (0.57) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL14562452 0.93 ITGA4 (0.56) ALDH1A1ALOX15MEN1KMT2ACTSL
SCHEMBL14562475 0.93 ITGA4 (0.56) ALDH1A1ALOX15MEN1KMT2ACTSL
SCHEMBL28577401 0.88 ALDH1A1 (0.56) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL28577399 0.88 ALDH1A1 (0.56) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL5162574 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL31628222 0.84 ALDH1A1 (0.57) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL5887270 0.83 ALDH1A1 (0.65) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL5887268 0.83 ALDH1A1 (0.65) ALDH1A1ALOX15MEN1KMT2AKYNU
SCHEMBL7151822 0.83 ALDH1A1 (0.74) ALDH1A1ALOX15MEN1KMT2AKYNU

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
CN-109704996-B Method for preparing 3-halogenated-N-protected-L-tyrosine methyl ester 安阳工学院 2021-06-08 CN disclosed
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. 2013-09-19 US disclosed
WO-2011112441-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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 (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-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD ALDH1A1 3225/4885ALOX15 1719/4885MEN1 2299/4885

“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.