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Sugi Predict / Compounds / SCHEMBL254835

SCHEMBL254835

SCHEMBL254835

CC1(C)C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(C(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2cc(C(=O)NCCS(=O)(=O)O)cc(C(=O)NCCS(=O)(=O)O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ HRH2 P25021 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ OPRK1 P41145 2/20 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
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 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

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
SCHEMBL18893088 0.97 PTPN1 (0.48) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL22259655 0.94 PTPN1 (0.48) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL19064842 0.93 PTPN1 (0.52) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL255234 0.93 PTPN1 (0.48) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL255276 0.92 PTPN1 (0.51) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL22259657 0.92 PTPN1 (0.47) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL22259838 0.91 PTPN1 (0.46) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL19064136 0.90 PTPN1 (0.40) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL15500299 0.89 HRH2 (0.43) PTPN1HRH2CHRM1CHRM3OPRK1
SCHEMBL29331205 0.89 HRH2 (0.46) PTPN1HRH2CHRM1CHRM3OPRK1

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 12 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-11203689-B2 Protected dye-labeled reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2021-12-21 — — US disclosed
US-11014958-B2 Fluorescent polymerase enzyme substrates having protein shields PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2021-05-25 — — 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-20200299319-A1 PROTECTED DYE-LABELED REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2020-09-24 — — US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 — — US disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 — — 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 PTPN1 4738/4885HRH2 4834/4885CHRM1 4580/4885
US-12037641-B2 Modified nucleotide reagents POLL, POLN, POLM PTPN1 4738/4885HRH2 4834/4885CHRM1 4580/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR PTPN1 3264/4885HRH2 4138/4885CHRM1 1601/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR PTPN1 3264/4885HRH2 4138/4885CHRM1 1601/4885
US-20210147928-A1 LABELED NUCLEOTIDE ANALOGS, REACTION MIXTURES, AND METHODS AND SYSTEMS FOR SEQUENCING POLL, POLN, POLB PTPN1 4712/4885HRH2 4767/4885CHRM1 4622/4885
US-11466319-B2 Labeled nucleotide analogs, reaction mixtures, and methods and systems for sequencing POLL, POLN, POLB PTPN1 4712/4885HRH2 4767/4885CHRM1 4622/4885
US-20200299319-A1 PROTECTED DYE-LABELED REAGENTS POLL, POLB, POLM PTPN1 4817/4885HRH2 4810/4885CHRM1 4719/4885
US-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 PTPN1 847/4885HRH2 4776/4885CHRM1 4733/4885
US-11203689-B2 Protected dye-labeled reagents POLL, POLB, POLM PTPN1 4817/4885HRH2 4810/4885CHRM1 4719/4885
US-11014958-B2 Fluorescent polymerase enzyme substrates having protein shields POLL, POLN, POLA1 PTPN1 4351/4885HRH2 4819/4885CHRM1 4865/4885

“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.