SCHEMBL2807663

SCHEMBL2807663

O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CASP1 P29466 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.53
SLC16A1 P53985 1/20 0.49
APEX1 P27695 2/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL9516048 0.86 TSHR (0.57) TSHRCASP1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7527853 0.86 ALDH1A1 (0.58) TSHRCASP1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8962319 0.85 LMNA (0.56) TSHRCASP1SMN1; SMN2LMNASLC16A1
SCHEMBL18577911 0.85 TSHR (0.55) TSHRCASP1SMN1; SMN2LMNAALDH1A1
SCHEMBL1017989 0.85 CA2 (0.56) TSHRCASP1SMN1; SMN2LMNAALDH1A1
SCHEMBL403618 0.85 LMNA (0.74) TSHRCASP1SMN1; SMN2LMNAALDH1A1
SCHEMBL6554461 0.83 HTR6 (0.56) TSHRCASP1SMN1; SMN2LMNASLC16A1
Hydrochloric Acid SCHEMBL9651756 0.83 LMNA (0.72) TSHRCASP1SMN1; SMN2LMNAALDH1A1
SCHEMBL1017556 0.82 TSHR (0.52) TSHRCASP1SMN1; SMN2LMNAPOLB
SCHEMBL1397921 0.81 APEX1 (0.67) TSHRLMNASLC16A1APEX1POLB

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
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TSHR 3644/4885CASP1 1288/4885SMN1; SMN2 2933/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 TSHR 4692/4885CASP1 1789/4885SMN1; SMN2 2822/4885

“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.