SCHEMBL4644391

SCHEMBL4644391

CCc1ccc(Br)c2scc(COC(=O)C(F)(F)F)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4644478 0.85 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4641590 0.79 GPR35 (0.31)
SCHEMBL4647070 0.75 CYP2A6 (0.33) ALDH1A1
SCHEMBL4642001 0.72 STING1 (0.32) ALDH1A1L3MBTL1
SCHEMBL5176741 0.69 CTSG (0.42) ALDH1A1L3MBTL1
SCHEMBL4644261 0.69 PPARD (0.31)
SCHEMBL9812396 0.68 MMP1 (0.49) ALDH1A1L3MBTL1
SCHEMBL9258815 0.61 CA1 (0.47) HDAC4HDAC6ALDH1A1L3MBTL1
SCHEMBL5423058 0.60 KMT2A (0.38) ALDH1A1
SCHEMBL17711346 0.60 MLYCD (0.49)

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
EP-1298130-B1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN PHARMA LTD (JP) 2008-08-13 EP disclosed
US-6774245-B2 SELECTIVE HYDROGENATION OF 7-SUBSTITUTED-3-HYDROXYMETHYL-BENZO(B)THIOPHENE DERIVATIVE; CYCLIZATION, SULFIDING TEIJIN LIMITED (JP) 2004-08-10 US disclosed
US-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TEIJIN LIMITED (JP) 2003-10-09 US disclosed
EP-1298130-A1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN LIMITED (JP) 2003-04-02 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-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TST, SULT1E1, CYP4B1 HDAC3 565/4885HDAC4 595/4885HDAC1 1346/4885

“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.