SCHEMBL4657653

SCHEMBL4657653

COC(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 2/20 0.55
ALDH1A1 P00352 5/20 0.53
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL70470 0.89 ALDH1A1 (0.65) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL29606273 0.86 TSHR (0.55) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4462421 0.86 ALDH1A1 (0.57) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL1929461 0.86 ALDH1A1 (0.61) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL1483403 0.86 TSHR (0.55) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL29699657 0.83 KDM4E (0.55) MAPTLMNAKDM4ESMN1; SMN2TSHR
SCHEMBL820141 0.83 KDM4E (0.55) MAPTLMNAKDM4ESMN1; SMN2TSHR
SCHEMBL293610 0.81 KDM4E (0.53) MAPTLMNAKDM4ESMN1; SMN2TSHR
SCHEMBL293611 0.81 KDM4E (0.55) MAPTLMNAKDM4ESMN1; SMN2TSHR
SCHEMBL1929517 0.81 TSHR (0.50) MEN1KMT2AMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270240-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-08-27 US disclosed
US-20200270240-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-08-27 US disclosed
EP-3654975-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS Icahn School of Medicine at Mount Sinai (US) 2020-05-27 EP disclosed
WO-2019018718-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-01-24 WO disclosed
WO-2019018718-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-01-24 WO disclosed
CN-105143228-A [1,2,4]triazol[4,3-a]pyridine derivate, preparation method therefor or medical application thereof JIANGSU HANSOH PHARMACEUTICAL 2015-12-09 CN disclosed
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 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 (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-20200270240-A1 BENZOTHIAZOLE AND PYRIDOTHIAZOLE COMPOUNDS AS SUMO ACTIVATORS SUMO2, ATP2A2, ATP2A1 MEN1 4225/4885KMT2A 1387/4885MAPT 694/4885
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA MEN1 1748/4885KMT2A 4772/4885MAPT 1148/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 MEN1 1352/4885KMT2A 4829/4885MAPT 874/4885

“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.