SCHEMBL1761579

SCHEMBL1761579

O=C(O)c1cc2ccsc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
GPR35 Q9HC97 3/20 0.53
BCL2L1 Q07817 1/20 0.48
ALOX5 P09917 1/20 0.43
DAO P14920 10/20 0.42
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL11458074 0.86 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4109432 0.82 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967024 0.82 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9459350 0.80 HDAC1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967023 0.79 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967028 0.79 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31619547 0.78 GPR35 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2272818 0.78 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8793104 0.76 GPR35 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29613066 0.76 GPR35 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
EP-0382537-B1 5-Carbamoylthieno (2,3-B)thiophene-2-sulfon-amides as topically active carbonic anhydrase inhibitors MERCK & CO INC (US) 1994-03-30 EP claimed
WO-2023074408-A1 THIOPHENE COMPOUND, METHOD FOR SYNTHESIZING SAME, AND COMPOSITION CONTAINING SAID THIOPHENE COMPOUND 四国化成工業株式会社 2023-05-04 WO disclosed
US-11269251-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-08 US disclosed
US-20190113844-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
WO-2001038332-A1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1079821-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-07 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
US-4581352-A ORALLY ADMINISTERING; ESPECIALLY EFFECTIVE AGAINST GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-04-08 US disclosed
US-4183944-A ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS RHONE POULENC INDUSTRIES (FR) 1980-01-15 US disclosed
US-4124596-A ANALGESICS, ANTIPYRETICS, ANTICLOTTING AGENTS, ANTIINFLAMMATORY AGENTS RHONE-POULENC INDUSTRIES (FR) 1978-11-07 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 HDAC3 2068/4885HDAC4 2730/4885HDAC1 1573/4885

“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.