SCHEMBL9280385

SCHEMBL9280385

Cc1ccc(S(=O)(=O)OCCOC2CC/C=C/CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
STAT3 P40763 1/20 0.34
TBXA2R P21731 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9280387 1.00 CA12 (0.39) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL9280381 1.00 CA12 (0.39) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL7215095 0.90 ALDH1A1 (0.43) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL11171926 0.89 ALDH1A1 (0.45) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL499873 0.87 CYP2D6 (0.44) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL20129163 0.86 ALDH1A1 (0.41) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL431489 0.83 ACHE (0.39) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL15301452 0.83 ACHE (0.39) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL15301451 0.83 ACHE (0.39) CA12CA1CA9CYP2D6CYP1A2
SCHEMBL431490 0.83 ACHE (0.39) CA12CA1CA9CYP2D6CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850216-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-12-26 US disclosed
US-20210038748-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2021-02-11 US disclosed
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-12-10 US disclosed
US-10653805-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-05-19 US disclosed
US-10556024-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-02-11 US disclosed
US-20190201562-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2019-07-04 US disclosed
US-10117954-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2018-11-06 US disclosed
US-20180015186-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2018-01-18 US disclosed
US-20180015186-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2018-01-18 US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 US disclosed
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 US disclosed
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-05-05 US disclosed
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-05-05 US disclosed
WO-2015073746-A9 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-07-23 WO disclosed
WO-2015073746-A2 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-05-21 WO disclosed
US-20130309170-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
US-20130309170-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 WO disclosed
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 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 (11 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-11850216-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 CA12 1714/4885CA1 3160/4885CA9 1311/4885
US-20180015186-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 CA12 1882/4885CA1 3227/4885CA9 1411/4885
US-20210038748-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885
US-20130309170-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS FABP1, EPCAM, CD44 CA12 54/4885CA1 744/4885CA9 395/4885
US-10653805-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 CA12 1714/4885CA1 3160/4885CA9 1311/4885
US-10117954-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885
US-10556024-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 CA12 1882/4885CA1 3227/4885CA9 1411/4885
US-20190201562-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 CA12 3119/4885CA1 2672/4885CA9 3493/4885

“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.