SCHEMBL507274

SCHEMBL507274

O=S(=O)(OCC(F)(F)c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA5A P35218 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DAO P14920 1/20 0.36
▸ PTPN1 P18031 3/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PRTN3 P24158 1/20 0.32
▸ PRSS3 P35030 1/20 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
SCHEMBL17583151 0.87 KMT2A (0.46) CA2CA1CA9ALDH1A1TSHR
SCHEMBL17583209 0.85 CA2 (0.39) CA2CA1ALDH1A1KMT2AHSD11B1
SCHEMBL17583126 0.84 CA2 (0.38) CA2CA1ALDH1A1TSHRHTR2A
SCHEMBL17583128 0.84 CA2 (0.44) CA2CA1CA9CA5AALDH1A1
SCHEMBL1561227 0.82 KIF11 (0.37) CA2CA1PTPN1HTR2AHTR2C
SCHEMBL17583205 0.81 CA2 (0.36) CA2CA1KMT2AHSD11B1
SCHEMBL9277833 0.79 CA2 (0.37) CA2CA1CA9CA5AKMT2A
SCHEMBL29674450 0.76 CA2 (0.39) CA2CA1ALDH1A1KMT2AHSD11B1
SCHEMBL508044 0.76 CA2 (0.39) CA2CA1ALDH1A1KMT2AHSD11B1
SCHEMBL9575296 0.75 CES1 (0.44) CA2CA1CA9CA5APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981933-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2021-04-20 — — US disclosed
US-20200148704-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2020-05-14 — — US disclosed
EP-3524324-A1 HISTONE DEACETYLASE INHIBITORS BioMarin Pharmaceutical Inc. (US) 2019-08-14 — — EP disclosed
US-20190233439-A1 HISTONE DEACETYLASE INHIBITORS REPLIGEN CORPORATION 2019-08-01 — — US disclosed
US-10301323-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-28 — — US disclosed
US-10280182-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-07 — — US disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 — — EP disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 — — EP disclosed
US-20180208606-A1 HISTONE DEACETYLASE INHIBITORS REPLIGEN CORPORATION 2018-07-26 — — US disclosed
US-20180208606-A1 HISTONE DEACETYLASE INHIBITORS REPLIGEN CORPORATION 2018-07-26 — — US disclosed
US-20050074451-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 — — US disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 — — WO disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 — — WO disclosed
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 KONRADI ANDREI W (US) 2003-07-24 — — US disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 — — US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 — — US disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 — — EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 — — 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-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 VCAM1, ICAM1, ITGB4 CA2 4695/4885CA1 2803/4885CA9 3993/4885
US-20190233439-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-10301323-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-20200148704-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 CA2 4634/4885CA1 2523/4885CA9 4004/4885
US-20180208606-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 CA2 4634/4885CA1 2523/4885CA9 4004/4885
US-10280182-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 CA2 2098/4885CA1 402/4885CA9 967/4885
US-10981933-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 CA2 1660/4885CA1 1356/4885CA9 1640/4885
US-20050074451-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 CA2 2098/4885CA1 402/4885CA9 967/4885

“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.

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