SCHEMBL22698197

SCHEMBL22698197

CC(C)N[C@@H](Cc1cccc(S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 3/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ADAMTS4 O75173 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MAPT P10636 1/20 0.41
MME P08473 2/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL15445325 0.86 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL15445339 0.86 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL20115488 0.85 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL20898143 0.84 ITGB1 (0.47) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL22693781 0.84 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL29547598 0.84 ITGB1 (0.47) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL13957285 0.80 MME (0.60) FOLH1MMP2MMP9ADAMTS4MME
SCHEMBL14999575 0.80 ITGB1 (0.45) ALDH1A1GAAHSD17B10POLBFOLH1
SCHEMBL2781126 0.79 MME (0.58) MMEACECPA1ACE2L3MBTL1
SCHEMBL15592756 0.79 MME (0.58) MMEACECPA1ACE2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369652-A1 PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2020-11-26 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-20200369652-A1 PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF LIFR, FLT3, CSF3R ALDH1A1 2263/4885GAA 124/4885HSD17B10 3942/4885

“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.