SCHEMBL3387845

SCHEMBL3387845

NCCCc1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL13432911 0.86 HTR6 (0.42) HTR6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1710427 0.81 MEN1 (0.40) HTR6MEN1KMT2APOLBRAB9A
SCHEMBL1710618 0.81 AKT1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL3389722 0.78 ALDH1A1 (0.53) HTR6KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL30116421 0.77 CA2 (0.44) HTR6F2KCNH2SMN1; SMN2
SCHEMBL1710571 0.76 LMNA (0.54) HTR6KMT2AALDH1A1SMN1; SMN2
SCHEMBL612124 0.76 SIGMAR1 (0.46) NMT2NMT1OPRM1OPRD1OPRK1
SCHEMBL612943 0.76 SIGMAR1 (0.46) NMT2NMT1OPRM1OPRD1OPRK1
SCHEMBL3386740 0.75 ALDH1A1 (0.47) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL3386752 0.75 JAK2 (0.39)

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 4 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
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

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 HTR6 1538/4885F2 4812/4885F10 4499/4885

“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.