SCHEMBL3389669

SCHEMBL3389669

Cc1ccc(S(=O)(=O)O)c(CC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TP53 P04637 1/20 0.35
CASP1 P29466 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
SCHEMBL5802385 0.98 EPHX2 (0.42) EPHX2NPC1RAB9AGAAPKM
SCHEMBL20573229 0.97 EPHX2 (0.38) EPHX2NPC1RAB9AGAAPKM
SCHEMBL6417418 0.88 AKR1C3 (0.36) EPHX2RAB9AGAAHTTTSHR
SCHEMBL9485617 0.88 PIK3CG (0.32) EPHX2GAAHTTTSHRLMNA
SCHEMBL6961687 0.87 EPHX2 (0.41) EPHX2NPC1RAB9AGAAPKM
SCHEMBL963562 0.87 NPC1 (0.42) EPHX2NPC1RAB9ALMNACNR1
SCHEMBL23151945 0.86 FFAR4 (0.32) EPHX2GAAHTTLMNASMN1; SMN2
SCHEMBL15229660 0.86 BRD4 (0.35) EPHX2KMT2AMEN1CNR1
SCHEMBL7526268 0.86 CYP2C9 (0.35) EPHX2NPC1GAAPKMHTT
SCHEMBL8945001 0.86 CYP2C9 (0.35) EPHX2NPC1GAAPKMHTT

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 3 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-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP 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 EPHX2 4098/4885NPC1 407/4885RAB9A 2273/4885

“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.