SCHEMBL178272

SCHEMBL178272

CC1=Nc2ccc3c(S(=O)(=O)NCCS(=O)(=O)O)cc(S(=O)(=O)NCCS(=O)(=O)O)cc3c2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
IKBKB O14920 2/20 0.31
CHUK O15111 2/20 0.31
SFRP1 Q8N474 1/20 0.31
AKR1C3 P42330 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL101643 0.96 CYP2D6 (0.37) CYP2D6KMT2AMEN1TP53CYP1A2
SCHEMBL101351 0.96 CYP2D6 (0.38) CYP2D6KMT2AMEN1IKBKBCHUK
SCHEMBL178269 0.95 CYP2D6 (0.39) CYP2D6KMT2AMEN1IKBKBCHUK
SCHEMBL10127992 0.93 CYP2D6 (0.38) CYP2D6KMT2AMEN1IKBKBCHUK
SCHEMBL101662 0.83 MEN1 (0.38) KMT2AMEN1TSHR
SCHEMBL136734 0.78 MEN1 (0.44) KMT2AMEN1CYP1A2CYP2C19TDP1
SCHEMBL14695213 0.77 MEN1 (0.43) KMT2AMEN1CYP1A2CYP2C19TDP1
SCHEMBL19976575 0.75 ALDH1A1 (0.37) KMT2AMEN1TDP1
SCHEMBL16252460 0.74 FOLH1 (0.37) CYP2D6KMT2A
Potassium Ion SCHEMBL14695214 0.73 MEN1 (0.43) KMT2AMEN1TDP1

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 16 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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
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-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 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
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
WO-2012027618-A2 FUNCTIONALIZED CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed
WO-2012027623-A2 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO 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 (5 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 CYP2D6 1589/4885KMT2A 2564/4885MEN1 2288/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR CYP2D6 1589/4885KMT2A 2564/4885MEN1 2288/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR CYP2D6 1589/4885KMT2A 2564/4885MEN1 2288/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR CYP2D6 1589/4885KMT2A 2564/4885MEN1 2288/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR CYP2D6 1808/4885KMT2A 3543/4885MEN1 3947/4885

“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.