SCHEMBL2494769

SCHEMBL2494769

COc1cccc(OC)c1OC.O=S(=O)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA14 Q9ULX7 3/20 0.47
CA9 Q16790 3/20 0.46
CA7 P43166 2/20 0.46
CA4 P22748 1/20 0.46
NFE2L2 Q16236 3/20 0.46
PRMT1 Q99873 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42

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
SCHEMBL2494496 0.86 KCNK3 (0.42) SMN1; SMN2CA12CA1CA2CA14
SCHEMBL27753904 0.85 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA14
SCHEMBL151213 0.85 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA14
SCHEMBL25434306 0.85 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA14
SCHEMBL1713241 0.84 TRPV4 (0.49) SMN1; SMN2CA12CA1CA2CA14
SCHEMBL29969255 0.84 TRPV4 (0.49) SMN1; SMN2CA12CA1CA2CA14
Formaldehyde SCHEMBL28092618 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA2CA14
1,2-Dimethoxybenzene SCHEMBL66189 0.83 CA1 (0.68) SMN1; SMN2CA12CA1CA2CA14
Ammonia Solution, Strong SCHEMBL4268652 0.83 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA14
Hydrochloric Acid SCHEMBL31658961 0.83 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA14

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
CN-105693634-A Compound and application thereof 清华大学 2016-06-22 CN disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
CN-101133026-B 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
CN-101133026-A 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE (CH) 2008-02-27 CN disclosed
US-4587360-A Anti-arrhythmic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1986-05-06 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 SMN1; SMN2 2982/4885CA12 4013/4885CA1 2198/4885

“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.