SCHEMBL7827993

SCHEMBL7827993

Cc1ccc(Cl)c(OCCCC(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
PPARG P37231 2/20 0.60
MAPT P10636 4/20 0.58
CYP2C9 P11712 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 2/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.58
ALOX12 P18054 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ATM Q13315 1/20 0.57
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL15445592 0.90 TSHR (0.71) TSHRPPARGMAPTCYP2C9L3MBTL1
SCHEMBL12900938 0.89 MAPT (0.56) TSHRPPARGMAPTCYP2C9L3MBTL1
SCHEMBL20230373 0.84 PPARG (0.68) TSHRPPARGMAPTCYP2C9L3MBTL1
SCHEMBL10359783 0.84 PPARG (0.67) TSHRPPARGMAPTCYP2C9L3MBTL1
SCHEMBL3161533 0.83 TSHR (1.00) TSHRPPARGCYP2C9L3MBTL1HPGD
SCHEMBL16742711 0.83 TDP1 (0.60) TSHRMAPTCYP2C9L3MBTL1MAPK1
SCHEMBL9888805 0.82 TSHR (0.79) TSHRPPARGMAPTCYP2C9L3MBTL1
SCHEMBL18656221 0.82 FFAR4 (0.56) TSHRPPARGCYP2C9L3MBTL1FFAR4
SCHEMBL4655730 0.81 MAPT (0.59) TSHRMAPTCYP2C9L3MBTL1MAPK1
SCHEMBL117098 0.81 RAB9A (0.54) TSHRPPARGMAPTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 US disclosed
US-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 TSHR 3910/4885PPARG 3490/4885MAPT 2960/4885

“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.