SCHEMBL4955834

SCHEMBL4955834

COC(=O)c1cccc(Oc2cccc(-c3nnc(N)s3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 1/20 0.47
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
PKM P14618 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TP53 P04637 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
SCHEMBL4954631 0.82 NPC1 (0.71) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14090389 0.79 CCNC (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4954816 0.78 GUSB (0.56) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6154686 0.78 NOTUM (0.71) NOTUMKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL2436534 0.77 L3MBTL1 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL360517 0.76 CSNK2A2 (0.67) NOTUMKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL8367495 0.75 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL2667226 0.74 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11329045 0.74 NOTUM (0.66) NOTUMKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL5873911 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 NOTUM 3304/4885KDM4E 1051/4885SMN1; SMN2 4199/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 NOTUM 3304/4885KDM4E 1051/4885SMN1; SMN2 4199/4885

“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.