Sugi Predict

Sugi Predict / Compounds / SCHEMBL101398

SCHEMBL101398

SCHEMBL101398

CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3ccc4cc(-c5cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c5)ccc4c3C2(C)C)C(C)(C)c2c1cc(S(=O)(=O)O)c1cc(-c3cc(C(=O)NCC)nc(C(=O)NCC)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ BDKRB2 P30411 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ AGTR1 P30556 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51

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
SCHEMBL101410 0.98 MLNR (0.47) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL18876746 0.98 MLNR (0.47) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL19975740 0.97 HRH2 (0.54) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL29309516 0.95 MLNR (0.51) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL19975739 0.95 MLNR (0.51) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL19976546 0.89 FOLH1 (0.49) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL17301761 0.87 FOLH1 (0.48) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL18876751 0.87 CHRM1 (0.48) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL18876747 0.87 FOLH1 (0.43) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL18892930 0.86 FOLH1 (0.45) MLNRNR1I2PGRADRB1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 — — US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 — — US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 — — US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 — — US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 — — US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 — — US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 — — US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) 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 (1 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-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR MLNR 776/4885NR1I2 2794/4885PGR 1314/4885

“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.