SCHEMBL3390135

SCHEMBL3390135

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(CSc2cccc(C(=O)CCNC(=O)O)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL3388594 0.85 APEX1 (0.36) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL1727499 0.79 LTB4R (0.32)
SCHEMBL16030937 0.77 MAP1LC3B (0.41) APEX1ITGB3ITGA2BHSD17B10MAP1LC3B
SCHEMBL1710661 0.74 APEX1 (0.42) APEX1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL1710650 0.72 KMT2A (0.45) APEX1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL1726349 0.72 ALDH1A1 (0.38) APEX1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL13433134 0.67 MAP1LC3B (0.41) APEX1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL13400260 0.67 HDAC6 (0.44) RAB9ASMN1; SMN2CYP1A2CYP2C9MAP1LC3B
SCHEMBL22982704 0.66 MAPT (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL16031988 0.66 TP53BP1 (0.46) ALDH1A1MAPTSIGMAR1

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 APEX1 1261/4885ITGB3 2248/4885ITGA2B 3420/4885

“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.