SCHEMBL2176500

SCHEMBL2176500

[CH2]NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
SRD5A2 P31213 4/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MITF O75030 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
TPMT P51580 1/20 0.48

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
SCHEMBL78063 0.82 ALOX15 (0.61) TSHRCA1CA12CA9ALDH1A1
SCHEMBL11705058 0.79 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL6968527 0.78 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2CES2CES1MEN1
SCHEMBL2992032 0.78 MEN1 (0.55) CA1CA2MITFSMN1; SMN2CES2
SCHEMBL6973186 0.78 OGG1 (0.61) TP53CA1CA2CA12CA14
SCHEMBL28139334 0.78 LMNA (0.59) TSHRTP53CA1CA2CA12
SCHEMBL6957448 0.78 TPMT (0.52) CA1CA2ALDH1A1TPMT
Terephthalic Acid SCHEMBL1194495 0.78 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL17628648 0.78 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL5082394 0.78 TSHR (0.86) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US claimed
EP-2371927-B1 Fluorescent dye compounds, conjugates and uses thereof LIFE TECHNOLOGIES CORP (US) 2020-03-11 EP disclosed
EP-1802727-B1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF LIFE TECHNOLOGIES CORP (US) 2018-04-04 EP disclosed
US-9745336-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2017-08-29 US disclosed
US-20140303003-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof APPLIED BIOSYSTEMS, LLC (US) 2014-10-09 US disclosed
US-8729267-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2014-05-20 US disclosed
US-20110250699-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof Life Technologies Corporation (US) 2011-10-13 US disclosed
EP-2371927-A1 Fluorescent dye compounds, conjugates and uses thereof Life Technologies Corporation (US) 2011-10-05 EP disclosed
US-7985602-B2 Fluorescent dye compounds, conjugates and uses thereof APPLIED BIOSYSTEMS, LLC (US) 2011-07-26 US disclosed
US-20090093062-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof APPLERA CORPORATION (US) 2009-04-09 US disclosed
US-7256292-B2 Fluorescent dye compounds, conjugates and uses thereof APPLERA CORPORATION (US) 2007-08-14 US disclosed
EP-1802727-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF Applera Corporation (US) 2007-07-04 EP disclosed
US-20060167257-A1 Acridinone based multiple ring fluorescent dyes, linkable forms of fluorescent dyes, energy transfer dyes, reagents labeled with fluorescent dyes APPLERA CORPORATION (US) 2006-07-27 US disclosed
WO-2006034036-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF APPLERA CORPORATION (US) 2006-03-30 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-20060167257-A1 Acridinone based multiple ring fluorescent dyes, linkable forms of fluorescent dyes, energy transfer dyes, reagents labeled with fluorescent dyes ACR, GFPT1, PFAS TSHR 4050/4885TP53 1832/4885SRD5A2 2295/4885
US-20090093062-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof GFPT1, SLC46A1, SLC7A5 TSHR 4360/4885TP53 1111/4885SRD5A2 2088/4885
US-20110250699-A1 Fluorescent Dye Compounds, Conjugates and Uses Thereof GFPT1, SLC46A1, SLC7A5 TSHR 4360/4885TP53 1111/4885SRD5A2 2088/4885

“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.