SCHEMBL9067494

SCHEMBL9067494

O=C(O)Cc1ccc(C(=O)O)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 4/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
POLB P06746 2/20 0.56
RECQL P46063 2/20 0.56
APEX1 P27695 1/20 0.56
BLM P54132 1/20 0.51
DAO P14920 6/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL68973 0.84 HPGD (0.59) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL1707142 0.83 HPGD (0.61) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL12411437 0.83 DAO (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL2332754 0.83 MAPT (0.59) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL11680962 0.82 KMT2A (0.59) HPGDKMT2AMAPTMEN1ALDH1A1
Methane SCHEMBL7759142 0.82 HPGD (0.59) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL4420125 0.80 MAPT (0.58) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL1401537 0.80 DAO (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL11299829 0.79 HPGD (1.00) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL7814255 0.79 KMT2A (0.73) HPGDKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626100-B2 Selective HDAC6 inhibitors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-04-21 US disclosed
US-10626100-B2 Selective HDAC6 inhibitors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-04-21 US disclosed
US-20180118709-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-03 US disclosed
US-20180118709-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-03 US disclosed
US-20180118709-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-03 US disclosed
US-9890136-B2 Selective HDAC6 inhibitors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-02-13 US disclosed
US-9890136-B2 Selective HDAC6 inhibitors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-02-13 US disclosed
US-9890136-B2 Selective HDAC6 inhibitors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-02-13 US disclosed
US-20160347732-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-01 US disclosed
US-20160347732-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-01 US disclosed
US-20160347732-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-01 US disclosed
WO-2015100363-A1 SELECTIVE HDAC6 INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-07-02 WO disclosed
US-5536724-A Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins SRI INTERNATIONAL (US) 1996-07-16 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 (3 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-20180118709-A1 SELECTIVE HDAC6 INHIBITORS HDAC7, HDAC6, HDAC3 HPGD 4352/4885KMT2A 2766/4885MAPT 2497/4885
US-20160347732-A1 SELECTIVE HDAC6 INHIBITORS HDAC7, HDAC6, HDAC3 HPGD 4415/4885KMT2A 2843/4885MAPT 2256/4885
US-10626100-B2 Selective HDAC6 inhibitors HDAC7, HDAC6, HDAC3 HPGD 4352/4885KMT2A 2766/4885MAPT 2497/4885

“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.