SCHEMBL17189754

SCHEMBL17189754

Cc1ccc2c(sc3c(F)cccc32)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
MIF P14174 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL17189694 0.86 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19443774 0.82 HDAC3 (0.37) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL16273133 0.82 ACHE (0.44) ACHECYP1A2CYP2A6TSHRMIF
SCHEMBL19452774 0.82 MIF (0.36) CYP1A2MAPTMIFALDH1A1
SCHEMBL29444850 0.82 MIF (0.38) ACHECYP1A2MAPTMIFALDH1A1
SCHEMBL17181375 0.82 MIF (0.38) ACHECYP1A2MAPTMIFALDH1A1
SCHEMBL19443915 0.78 MIF (0.35) MAPTTSHRMIFCYP3A4HPGD
SCHEMBL19452739 0.78 MIF (0.30) MIF
SCHEMBL17189696 0.77 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20403614 0.76 TP53 (0.41) TP53MAPTALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512102-B2 4,6-difluorodibenzothiophene derivatives MERCK PATENT GMBH (DE) 2016-12-06 US disclosed
US-20150299161-A1 4,6-DIFLUORODIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2015-10-22 US 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-20150299161-A1 4,6-DIFLUORODIBENZOTHIOPHENE DERIVATIVES DDT, CD2, CYP4F2 ACHE 3644/4885HDAC3 4739/4885HDAC4 3885/4885

“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.