SCHEMBL5584978

SCHEMBL5584978

COCc1cccc2sc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
BCL2L1 Q07817 1/20 0.45
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
DAPK3 O43293 2/20 0.40
CHEK2 O96017 2/20 0.40
CDK1 P06493 2/20 0.40
PIM1 P11309 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL9432801 0.81 SLC9A1 (0.50) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13712483 0.81 PLAU (0.60) SLC9A1F9F10PLAU
SCHEMBL829143 0.78 SLC9A1 (0.60) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5584138 0.77 HDAC3 (0.53) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432261 0.77 SLC9A1 (0.47) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2761796 0.77 HDAC3 (0.73) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17843068 0.77 TBXAS1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9432087 0.77 SLC9A1 (0.49) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11090568 0.75 HDAC3 (0.51) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9431014 0.75 SLC9A1 (0.48) SLC9A1HDAC3HDAC4HDAC1HDAC7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214333-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD. (AU) 2021-07-15 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (3 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC9A1 140/4885HDAC3 1326/4885HDAC4 1013/4885
US-20210214333-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING STING1, CGAS, IRF3 SLC9A1 3297/4885HDAC3 2086/4885HDAC4 3212/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC9A1 140/4885HDAC3 1326/4885HDAC4 1013/4885

“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.