SCHEMBL4642001

SCHEMBL4642001

Cc1ccc(Cl)c2scc(COC(=O)C(F)(F)F)c12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.88 HDAC3 (0.32) L3MBTL1NPC1RAB9ATDP1ALDH1A1
SCHEMBL4645455 0.85 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL4644261 0.84 PPARD (0.31) PPARDPPARA
SCHEMBL5176741 0.77 CTSG (0.42) L3MBTL1PPARDPPARAALDH1A1
SCHEMBL4641590 0.74 GPR35 (0.31)
SCHEMBL4643410 0.73 CYP2A6 (0.34)
SCHEMBL4644391 0.72 HDAC3 (0.32) L3MBTL1ALDH1A1
SCHEMBL9812562 0.68 L3MBTL1 (0.50) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL5178565 0.67 LMNA (0.43) NPC1RAB9ATDP1PPARDPPARA
SCHEMBL4644772 0.66 CYP2A6 (0.34) MEN1KMT2A

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 STING1 4207/4885L3MBTL1 839/4885NPC1 3699/4885

“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.