Sugi Predict

Sugi Predict / Compounds / SCHEMBL255237

SCHEMBL255237

SCHEMBL255237

CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=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 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ CHRM1 P11229 4/20 0.43
▸ CHRM3 P20309 4/20 0.43
▸ HRH2 P25021 4/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ ADORA1 P30542 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

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
SCHEMBL19063184 0.98 PTPN1 (0.48) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL22259829 0.95 FOLH1 (0.47) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL255276 0.94 PTPN1 (0.51) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL254643 0.93 PTPN1 (0.50) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL255234 0.93 PTPN1 (0.48) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL22259655 0.91 PTPN1 (0.48) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL16252080 0.90 PTPN1 (0.52) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL254756 0.90 HRH2 (0.44) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL19064108 0.89 PTPN1 (0.39) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL22259838 0.88 PTPN1 (0.46) PTPN1CHRM1CHRM3HRH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11624089-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-04-11 — — US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 — — US disclosed
US-10392659-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-08-27 — — 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-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 (4 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-10392659-B2 Cyanine dyes ABCG2, IK, ACR PTPN1 3264/4885CHRM1 1601/4885CHRM3 1441/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR PTPN1 3264/4885CHRM1 1601/4885CHRM3 1441/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR PTPN1 3264/4885CHRM1 1601/4885CHRM3 1441/4885
US-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 PTPN1 847/4885CHRM1 4733/4885CHRM3 4606/4885

“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.