SCHEMBL1710585

SCHEMBL1710585

CCCC(CCC)C[S+]([O-])c1cccc(C(=O)CCN)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL1710775 0.81 HSD17B3 (0.39) CTNNB1WNT3ATHRATHRBCES2
SCHEMBL1710856 0.76 AOC3 (0.32) LMNA
SCHEMBL1710468 0.74 GHSR (0.34)
SCHEMBL1710677 0.74 KMT2A (0.38) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3388399 0.73 KMT2A (0.40) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1710338 0.73 L3MBTL1 (0.33) L3MBTL1ALDH1A1
SCHEMBL1710664 0.72 APEX1 (0.41) TAS1R3TAS1R1CTNNB1WNT3ATHRA
SCHEMBL2150483 0.72 AKR1C3 (0.40) TAS1R3TAS1R1HPGDALDH1A1
SCHEMBL13881740 0.72 THRA (0.48) TAS1R3TAS1R1THRATHRBSMN1; SMN2
SCHEMBL1710662 0.71 HSD11B1 (0.38) TAS1R3TAS1R1LMNA

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-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
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
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 TAS1R3 170/4885TAS1R1 197/4885CTNNB1 2972/4885

“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.