SCHEMBL13066053

SCHEMBL13066053

CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(C(=O)O)cc4)cc3C(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.53
SLC5A2 P31639 2/20 0.44
GBA1 P04062 2/20 0.43
ITPR1 Q14643 1/20 0.42
ABCB1 P08183 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
CFTR P13569 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
GOPC Q9HD26 1/20 0.41
ESR1 P03372 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL13024610 0.89 P2RY6 (0.67) P2RY6SLC5A2GBA1ITPR1CA12
SCHEMBL13078102 0.89 ESR1 (0.56) P2RY6SLC5A2USP2ESR1CA12
SCHEMBL13066051 0.88 P2RY6 (0.46) P2RY6SLC5A2GBA1ITPR1ABCB1
SCHEMBL92964 0.88 P2RY6 (0.49) P2RY6GBA1ITPR1ABCB1USP2
SCHEMBL14597210 0.87 P2RY6 (0.51) P2RY6SLC5A2GBA1ITPR1MAPT
SCHEMBL13066052 0.87 SLC5A2 (0.45) P2RY6SLC5A2USP2ESR1CA12
SCHEMBL10293892 0.84 ESR1 (0.56) P2RY6SLC5A2USP2ESR1CA12
SCHEMBL10293948 0.84 P2RY6 (0.46) P2RY6SLC5A2GBA1ITPR1USP2
SCHEMBL13066099 0.83 ESR1 (0.52) P2RY6SLC5A2USP2ESR1CA12
SCHEMBL13065979 0.82 P2RY6 (0.42) P2RY6SLC5A2USP2ESR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2010-11-04 US disclosed
US-7825237-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-02 US disclosed
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES Life Technologies Corporation (US) 2010-02-04 US disclosed
US-7595162-B2 Methods of labeling polynucleotides with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2009-09-29 US disclosed
US-20090118485-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLIED BIOSYSTEMS INC. (US) 2009-05-07 US disclosed
US-7449298-B2 Methods of analyzing polynucleotides employing energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-11-11 US disclosed
US-7449149-B2 Kits useful for sequencing nucleic acids APPLIED BIOSYSTEMS INC. (US) 2008-11-11 US disclosed
US-20080268509-A1 METHODS OF LABELING POLYNUCLEOTIDES WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2008-10-30 US disclosed
US-7432058-B2 Methods of labeling nucleic acids with energy transfer dyes APPLERA CORPORATION (US) 2008-10-07 US disclosed
US-7423140-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-09-09 US disclosed
US-7399854-B2 Regents labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-07-15 US disclosed
US-7388092-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-06-17 US disclosed
US-20070212709-A1 Non-nucleosidic linker linking xanthene donor to 4,7-dichlororhodamine acceptor; APPLERA CORPORATION (US) 2007-09-13 US disclosed
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS APPLERA CORPORATION (US) 2007-09-06 US disclosed
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 US disclosed
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 US disclosed
US-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-05 US disclosed
US-7169939-B2 Energy transfer dyes with enhanced fluorescence APPLERA CORPORATION (US) 2007-01-30 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 (9 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-20070154924-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885SLC5A2 2377/4885GBA1 1741/4885
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 P2RY6 4446/4885SLC5A2 2548/4885GBA1 2138/4885
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 P2RY6 4215/4885SLC5A2 2377/4885GBA1 1741/4885
US-20070212709-A1 Non-nucleosidic linker linking xanthene donor to 4,7-dichlororhodamine acceptor; DCLRE1A, SLC25A21, DIMT1 P2RY6 4205/4885SLC5A2 3732/4885GBA1 1748/4885
US-20070161027-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB P2RY6 4273/4885SLC5A2 2583/4885GBA1 1862/4885
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 P2RY6 4094/4885SLC5A2 2122/4885GBA1 2254/4885
US-20070207477-A1 KITS USEFUL FOR SEQUENCING NUCLEIC ACIDS RNGTT, POLRMT, MRM1 P2RY6 4397/4885SLC5A2 3719/4885GBA1 2274/4885
US-20090118485-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RTCB P2RY6 4273/4885SLC5A2 2583/4885GBA1 1862/4885
US-20070154925-A1 METHODS OF ANALYZING POLYNUCLEOTIDES EMPLOYING ENERGY TRANSFER DYES POLRMT, NOP2, NSUN3 P2RY6 3047/4885SLC5A2 3477/4885GBA1 2662/4885

“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.