SCHEMBL455642

SCHEMBL455642

NCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.46
MITF O75030 1/20 0.46
PRSS1 P07477 6/20 0.44
KDM4C Q9H3R0 1/20 0.44
F2 P00734 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
SRD5A2 P31213 1/20 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
SCHEMBL11666857 0.85 PRSS1 (0.54) FNTAFNTBPRSS1F2PRSS2
SCHEMBL17315503 0.84 PRSS1 (0.48) POLBPRSS1F2PRSS2PRSS3
SCHEMBL2830820 0.83 TSHR (0.52) FNTAFNTBTP53TSHRMITF
SCHEMBL11748691 0.83 PRSS1 (0.57) FNTAFNTBTP53TSHRPOLB
SCHEMBL30317460 0.83 MAPK13 (0.56) SRD5A2
SCHEMBL24075977 0.82 MAPT (0.46) POLBPRSS1
SCHEMBL1663499 0.82 TSHR (0.50) FNTAFNTBTP53TSHRPOLB
Terephthalic Acid SCHEMBL28028514 0.81 TSHR (0.55) TP53TSHRSRD5A2
SCHEMBL22493090 0.81 HDAC6 (0.56) TSHR
SCHEMBL12510954 0.80 NPC1 (0.54)

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
CN-104918962-B Sugar chain addition linking group, compound or its salt and its manufacture method containing sugar chain addition linking group part Yu physiological activator part 株式会社糖锁工学研究所 2017-12-19 CN disclosed
US-9708413-B2 Glycosylated linker, compound containing glycosylated linker moiety and physiologically active substance moiety or salt thereof, and methods for producing said compound or salt thereof GLYTECH, INC. (JP) 2017-07-18 US disclosed
US-9708413-B2 Glycosylated linker, compound containing glycosylated linker moiety and physiologically active substance moiety or salt thereof, and methods for producing said compound or salt thereof GLYTECH, INC. (JP) 2017-07-18 US disclosed
US-20150299337-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID U OR SALT THEREOF GLYTECH INC (JP) 2015-10-22 US disclosed
US-20150299337-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID U OR SALT THEREOF GLYTECH INC (JP) 2015-10-22 US disclosed
EP-2924053-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID COMPOUND OR SALT THEREOF Glytech, Inc. (JP) 2015-09-30 EP disclosed
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 WO disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
US-4730050-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1988-03-08 US disclosed
US-4600580-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1986-07-15 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-20150299337-A1 GLYCOSYLATED LINKER, COMPOUND CONTAINING GLYCOSYLATED LINKER MOIETY AND PHYSIOLOGICALLY ACTIVE SUBSTANCE MOIETY OR SALT THEREOF, AND METHODS FOR PRODUCING SAID U OR SALT THEREOF CD44, CSGALNACT1, UGGT1 FNTA 2871/4885FNTB 3827/4885TP53 3765/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 FNTA 4029/4885FNTB 4358/4885TP53 3219/4885
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 FNTA 1/4885FNTB 2/4885TP53 541/4885

“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.