SCHEMBL4956695

SCHEMBL4956695

COC(=O)Cc1ccc(Oc2cccc(N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
GFER P55789 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MMP9 P14780 1/20 0.46
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NOD2 Q9HC29 1/20 0.45
CYP3A4 P08684 1/20 0.45
FFAR1 O14842 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.43
MTNR1A P48039 2/20 0.43

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
SCHEMBL3192546 0.83 SRD5A2 (0.58) ALDH1A1SMN1; SMN2CYP4F2CYP4A11MMP9
SCHEMBL6242743 0.82 FFAR1 (0.53) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL31657190 0.82 AKR1C3 (0.62) ALDH1A1KMT2ASRD5A2
SCHEMBL31478027 0.80 SLC7A5 (0.59) MAOBALDH1A1GAAGFERSMN1; SMN2
SCHEMBL907660 0.80 SLC7A5 (0.59) MAOBALDH1A1GAAGFERSMN1; SMN2
SCHEMBL5213552 0.79 SLC7A5 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AFFAR1
SCHEMBL4959727 0.79 MAPT (0.55) MAOBALDH1A1SMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL3949455 0.79 SLC7A5 (0.57) MAOBALDH1A1GAAGFERSMN1; SMN2
Hydrochloric Acid SCHEMBL6984256 0.79 SLC7A5 (0.57) MAOBALDH1A1GAAGFERSMN1; SMN2
SCHEMBL9152712 0.78 MAOB (0.45) MAOBALDH1A1GAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1841749-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES Metabasis Therapeutics, Inc. (US) 2007-10-10 EP disclosed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US disclosed
WO-2006028970-A1 DERIVATIVES OF THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-03-16 WO disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAOB 3660/4885ALDH1A1 961/4885GAA 2365/4885
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 MAOB 1788/4885ALDH1A1 1531/4885GAA 2114/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 MAOB 1788/4885ALDH1A1 1531/4885GAA 2114/4885

“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.