SCHEMBL1710775

SCHEMBL1710775

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CES2 O00748 4/20 0.38
CES1 P23141 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
OGG1 O15527 1/20 0.34

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
SCHEMBL1725422 0.84 SMN1; SMN2 (0.41) HSD17B3THRATHRBCES2CES1
SCHEMBL1710585 0.81 TAS1R3 (0.33) THRATHRBCES2CES1SMN1; SMN2
SCHEMBL1722159 0.78 NQO2 (0.39) SMN1; SMN2
SCHEMBL3388601 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL3388599 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL1710677 0.77 KMT2A (0.38) SMN1; SMN2
SCHEMBL3388595 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL3388399 0.76 KMT2A (0.40) SMN1; SMN2
SCHEMBL1710627 0.73 GHSR (0.39)
SCHEMBL9797460 0.73 TYR (0.40)

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 HSD17B3 1213/4885THRA 3135/4885THRB 2309/4885

“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.