SCHEMBL9535604

SCHEMBL9535604

c1cc2sc(C3OCCO3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL9530409 0.73 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9414145 0.69 GPR35 (0.40) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL22832568 0.69
SCHEMBL31296983 0.68 GPR35 (0.39) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL22845159 0.68
SCHEMBL15110885 0.67 CYP11B1 (0.32)
SCHEMBL18546540 0.66 GPR35 (0.34) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL9534654 0.66 CA2 (0.45)
SCHEMBL2041571 0.66 KDM4E (0.42) GAAALDH1A1POLB
SCHEMBL9414150 0.66 GPR35 (0.37) GPR35HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542270-B2 BCKDK inhibitors PFIZER INC. (US) 2023-01-03 US disclosed
EP-3990461-A1 THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY Pfizer Inc. (US) 2022-05-04 EP disclosed
US-11059833-B2 BCKDK inhibitors PFIZER INC. (US) 2021-07-13 US disclosed
US-20210087204-A1 BCKDK INHIBITORS PFIZER INC. (US) 2021-03-25 US disclosed
US-20210024536-A1 BCKDK INHIBITORS PFIZER INC. (US) 2021-01-28 US disclosed
WO-2020261205-A1 THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY PFIZER INC. (US) 2020-12-30 WO disclosed
WO-2020261205-A1 THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY PFIZER INC. (US) 2020-12-30 WO disclosed
EP-0375320-B1 Substituted thieno(3,2-B) thiophene-2-sulfonamides as topically active carbonic anhydrase inhibitors MERCK & CO INC (US) 1993-11-24 EP disclosed
EP-0375320-A1 Substituted thieno(3,2-B) thiophene-2-sulfonamides as topically active carbonic anhydrase inhibitors MERCK & CO. INC. (US) 1990-06-27 EP disclosed
US-4876271-A GLAUCOMA MERCK & CO., INC. (US) 1989-10-24 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 (4 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-20210087204-A1 BCKDK INHIBITORS BCKDK, PDK4, PDK3 GPR35 3710/4885HDAC3 723/4885HDAC4 1321/4885
US-11059833-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 GPR35 3710/4885HDAC3 723/4885HDAC4 1321/4885
US-11542270-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 GPR35 3710/4885HDAC3 723/4885HDAC4 1321/4885
US-20210024536-A1 BCKDK INHIBITORS BCKDK, PDK4, PDK3 GPR35 3710/4885HDAC3 723/4885HDAC4 1321/4885

“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.