SCHEMBL2807638

SCHEMBL2807638

Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)c(Cl)c4)cc3)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HTT P42858 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 4/20 0.44
TSHR P16473 3/20 0.44
PKM P14618 2/20 0.44
HTR6 P50406 2/20 0.44

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
SCHEMBL10728280 0.84 NR4A1 (0.65) SOS1HTTL3MBTL1TDP1ALDH1A1
SCHEMBL273483 0.83 NR4A1 (0.61) SOS1CA12CA1CA2CA4
SCHEMBL10896748 0.80 HTT (0.49) SOS1HTTL3MBTL1TDP1ALDH1A1
SCHEMBL7192417 0.80 MAOA (0.59) TDP1ALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL2747047 0.79 MMP2 (0.60) SOS1CA12CA1CA2CA9
SCHEMBL2812085 0.79 CA2 (0.55) SOS1CA12CA1CA2CA4
SCHEMBL2807557 0.79 SOS1 (0.58) SOS1CA12CA1CA2CA4
SCHEMBL10353014 0.79 HTT (0.55) SOS1HTTL3MBTL1TDP1ALDH1A1
SCHEMBL435704 0.79 CA1 (0.73) CA12CA1CA2CA4CA6
SCHEMBL2807270 0.79 HTT (0.44) SOS1HTTL3MBTL1TDP1ALDH1A1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF 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 SOS1 4085/4885CA12 2006/4885CA1 1402/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 SOS1 2648/4885CA12 610/4885CA1 172/4885

“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.