SCHEMBL1118616

SCHEMBL1118616

O=S(=O)(OCCCCBr)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.39
CA1 P00915 9/20 0.39
CA9 Q16790 8/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34

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
SCHEMBL29018668 0.98 CA2 (0.38) CA2CA1CA9KDM4EUSP2
SCHEMBL26981905 0.98 CA2 (0.38) CA2CA1CA9KDM4EUSP2
SCHEMBL16148467 0.98 CA2 (0.38) CA2CA1CA9KDM4EUSP2
SCHEMBL1118353 0.93 CA2 (0.40) CA2CA1CA9KDM4EUSP2
SCHEMBL575713 0.89 CA2 (0.44) CA2CA1CA9KDM4EUSP2
SCHEMBL23291930 0.86 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL14779178 0.86 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL2735589 0.86 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL8398329 0.86 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL4952312 0.86 CA2 (0.46) CA2CA1CA9KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634449-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-25 US disclosed
EP-4095146-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE President And Fellows Of Harvard College (US) 2022-11-30 EP disclosed
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-20 US disclosed
EP-2988597-B1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE HARVARD COLLEGE (US) 2022-06-08 EP disclosed
US-10913764-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-02-09 US disclosed
CN-111825733-A Macrolides and methods of making and using the same 哈佛大学的校长及成员们 2020-10-27 CN disclosed
WO-2019032961-A1 TRIOXACARCIN-ANTIBODY CONJUGATES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed
US-20180298048-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-10-18 US disclosed
US-9982005-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
EP-2988597-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE President and Fellows of Harvard College (US) 2016-03-02 EP disclosed
US-20160052951-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-02-25 US disclosed
CN-105246334-A Macrolides and methods of making and using the same HARVARD COLLEGE 2016-01-13 CN disclosed
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 WO disclosed
CN-102036943-A Preparation of a catalyst containing CF3Method for preparing compounds of O group MERCK PATENT GMBH 2011-04-27 CN disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
EP-2280918-A1 PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS Merck Patent GmbH (DE) 2011-02-09 EP disclosed
WO-2009141053-A1 PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS MERCK PATENT GMBH, (DE) 2009-11-26 WO disclosed
WO-2009141053-A1 PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS MERCK PATENT GMBH, (DE) 2009-11-26 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 (6 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-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS ZRANB2, ORC3, IKZF2 CA2 2082/4885CA1 3331/4885CA9 1296/4885
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 CA2 4851/4885CA1 4869/4885CA9 4601/4885
US-20160052951-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 CA2 4851/4885CA1 4869/4885CA9 4601/4885
US-11634449-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 CA2 4851/4885CA1 4869/4885CA9 4601/4885
US-10913764-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 CA2 4851/4885CA1 4869/4885CA9 4601/4885
US-20180298048-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 CA2 4851/4885CA1 4869/4885CA9 4601/4885

“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.