SCHEMBL3387592

SCHEMBL3387592

O=C(CBr)c1cccc(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.70
▸ LMNA P02545 4/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL17479215 0.84 ALDH1A1 (0.78) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL925723 0.84 ALDH1A1 (0.78) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL15899792 0.83 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL1710961 0.83 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3134886 0.82 MEN1 (0.65) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL15575103 0.82 ALDH1A1 (0.75) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL15575170 0.81 ALDH1A1 (0.73) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL17479214 0.81 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL17479352 0.81 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL28309662 0.81 LMNA (0.72) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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-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

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 ALDH1A1 314/4885LMNA 3498/4885KMT2A 2843/4885

“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.

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