SCHEMBL1964797

SCHEMBL1964797

Cc1cc(C(=O)O)cc(C)c1C=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TPMT P51580 1/20 0.45
RAF1 P04049 2/20 0.44
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HCAR1 Q9BXC0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL1964796 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TPMTRAF1NPC1
SCHEMBL2910883 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1GAAL3MBTL1
SCHEMBL2910879 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1GAAL3MBTL1
SCHEMBL18073447 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1GAAL3MBTL1
SCHEMBL2434119 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAF1NPC1GAA
SCHEMBL2434121 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAF1NPC1GAA
SCHEMBL16104796 0.80 TPMT (0.45) ALDH1A1SMN1; SMN2TPMTRAF1HCAR1
SCHEMBL1336506 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAF1NPC1GAA
SCHEMBL1741289 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAF1NPC1GAA
SCHEMBL1336509 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAF1NPC1GAA

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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 ALDH1A1 1610/4885SMN1; SMN2 1628/4885TPMT 1623/4885

“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.