SCHEMBL3385948

SCHEMBL3385948

NCCCc1cccc([S+]([O-])CC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.35
OPRD1 P41143 8/20 0.35
OPRK1 P41145 8/20 0.35
HTR6 P50406 1/20 0.33
MAOA P21397 1/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
CYP2A6 P11509 1/20 0.33
BDKRB2 P30411 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL3385701 0.99 OPRM1 (0.36) OPRM1OPRD1OPRK1HTR6NMT2
SCHEMBL13459844 0.85 PRMT6 (0.36) OPRM1OPRD1OPRK1
SCHEMBL3435515 0.85 DRD2 (0.39) OPRM1OPRD1OPRK1BCHE
SCHEMBL1710627 0.76 GHSR (0.39) HTR6MAOACYP2A6
SCHEMBL1710573 0.75 EPHX1 (0.40)
SCHEMBL613243 0.75 SIGMAR1 (0.43) OPRM1OPRD1OPRK1MAOANMT2
SCHEMBL13559386 0.75 NMT2 (0.41) OPRM1OPRD1OPRK1HTR6MAOA
SCHEMBL1710677 0.75 KMT2A (0.38)
SCHEMBL1710651 0.74 MEN1 (0.43)
SCHEMBL612124 0.74 SIGMAR1 (0.46) OPRM1OPRD1OPRK1MAOANMT2

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 OPRM1 3787/4885OPRD1 2036/4885OPRK1 2942/4885

“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.