SCHEMBL2013370

SCHEMBL2013370

O=S(=O)(OCCCF)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
CA1 P00915 10/20 0.41
CA9 Q16790 8/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
SCHEMBL575713 0.87 CA2 (0.44) CA2CA1CA9KDM4EUSP2
SCHEMBL576009 0.87 CA2 (0.44) CA2CA1CA9KDM4EUSP2
SCHEMBL14779178 0.85 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL2735589 0.85 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL8398329 0.85 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL23291930 0.85 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL4952312 0.85 CA2 (0.46) CA2CA1CA9KDM4EUSP2
SCHEMBL116723 0.85 CA2 (0.43) CA2CA1CA9CA7
SCHEMBL18912060 0.84 CA2 (0.43) CA2CA1CA9KDM4EUSP2
SCHEMBL1032931 0.82 CA2 (0.47) CA2CA1CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
US-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-01-19 US disclosed
US-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-08 US disclosed
EP-4038061-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
EP-4038068-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
WO-2021064677-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
WO-2021064571-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
CN-110214140-A Estrogenic agents 阿斯利康(瑞典)有限公司 2019-09-06 CN disclosed
CN-106478651-B Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2019-07-09 CN disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
CN-102985424-A 5, 7-substituted-imidazo [1, 2-c] pyrimidines as inhibitors of jak kinases ARRAY BIOPHARMA INC 2013-03-20 CN disclosed
CN-101312944-B Organic sulfur compounds and their use as arthropodicides SUMITOMO CO LTD 2013-03-06 CN disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102333569-A Amine or amino alcohols as glyt1 inhibitors HOFFMANN LA ROCHE 2012-01-25 CN disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
EP-1480739-A2 APPARATUS FOR SYNTHESIS OF RADIOLABELED COMPOUNDS Bioscan, Inc. (US) 2004-12-01 EP disclosed
WO-2003064678-A2 APPARATUS FOR SYNTHESIS OF RADIOLABELED COMPOUNDS BIOSCAN, INC. (US) 2003-08-07 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 (3 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-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CA2 4429/4885CA1 4716/4885CA9 4436/4885
US-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CA2 4429/4885CA1 4716/4885CA9 4436/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CA2 1764/4885CA1 3208/4885CA9 1154/4885

“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.