Sugi Predict

Sugi Predict / Compounds / SCHEMBL254769

SCHEMBL254769

SCHEMBL254769

CC1(C)C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3cc(S(=O)(=O)O)cc(C(=O)O)c3C2(C)C)=[N+](CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)cc(C(=O)OCCCS(=O)(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 3/20 0.43
▸ MLNR O43193 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ BDKRB2 P30411 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ SLC6A4 P31645 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
SCHEMBL19063405 0.97 HRH2 (0.47) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19062947 0.97 HRH2 (0.45) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19063579 0.96 HRH2 (0.42) HRH2MLNRNR1I2PGRADRB1
SCHEMBL18880184 0.95 MLNR (0.43) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19063122 0.94 HRH2 (0.49) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19062951 0.94 HRH2 (0.48) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19063123 0.93 HRH2 (0.45) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19052135 0.92 HRH2 (0.41) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19063500 0.91 HRH2 (0.50) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19063124 0.91 HRH2 (0.52) HRH2MLNRNR1I2PGRADRB1

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-12037641-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2024-07-16 — — US disclosed
US-11624089-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-04-11 — — US disclosed
US-11466319-B2 Labeled nucleotide analogs, reaction mixtures, and methods and systems for sequencing PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2022-10-11 — — US disclosed
US-11359235-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2022-06-14 — — US disclosed
US-20210147928-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2021-05-20 — — US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 — — US disclosed
US-10676788-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2020-06-09 — — US disclosed
US-10392659-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-08-27 — — US disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 — — US disclosed
US-20170321268-A1 MODIFIED NUCLEOTIDE REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-11-09 — — US disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 — — US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 — — US disclosed
US-20170145502-A1 MODIFIED NUCLEOTIDE REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-05-25 — — US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 — — 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 (10 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-11359235-B2 Modified nucleotide reagents POLL, POLN, POLM HRH2 4834/4885MLNR 1588/4885NR1I2 4442/4885
US-20170321268-A1 MODIFIED NUCLEOTIDE REAGENTS POLL, POLN, POLM HRH2 4834/4885MLNR 1588/4885NR1I2 4442/4885
US-12037641-B2 Modified nucleotide reagents POLL, POLN, POLM HRH2 4834/4885MLNR 1588/4885NR1I2 4442/4885
US-10392659-B2 Cyanine dyes ABCG2, IK, ACR HRH2 4138/4885MLNR 1127/4885NR1I2 3469/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR HRH2 4138/4885MLNR 1127/4885NR1I2 3469/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR HRH2 4138/4885MLNR 1127/4885NR1I2 3469/4885
US-20210147928-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING POLL, POLN, POLB HRH2 4767/4885MLNR 1617/4885NR1I2 4449/4885
US-11466319-B2 Labeled nucleotide analogs, reaction mixtures, and methods and systems for sequencing POLL, POLN, POLB HRH2 4767/4885MLNR 1617/4885NR1I2 4449/4885
US-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 HRH2 4776/4885MLNR 1884/4885NR1I2 4436/4885
US-10676788-B2 Modified nucleotide reagents POLL, POLN, POLM HRH2 4834/4885MLNR 1588/4885NR1I2 4442/4885

“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.