SCHEMBL453331

SCHEMBL453331

O=[C]OCCS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
KIF11 P52732 1/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
SCN3A Q9NY46 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX2 P34913 1/20 0.37
IDO1 P14902 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL453332 0.79 MMP1 (0.51) MMP1KIF11HSD11B1ALDH1A1L3MBTL1
SCHEMBL619004 0.78 LMNA (0.41) ALDH1A1KMT2ACA2CYP3A4CYP2C9
SCHEMBL64436 0.78 ALDH1A1 (0.63) ALDH1A1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2587720 0.78 ALDH1A1 (0.44) MMP1ALDH1A1KMT2ACA2CYP3A4
SCHEMBL28051 0.78 PSIP1 (0.47) MMP1HSD11B1ALDH1A1L3MBTL1KMT2A
SCHEMBL28865930 0.75 ALDH1A1 (0.38) MMP1ALDH1A1KMT2ACA2CYP3A4
SCHEMBL28932041 0.75 ALDH1A1 (0.38) MMP1ALDH1A1KMT2ACA2CYP3A4
SCHEMBL28166558 0.75 ALDH1A1 (0.59) ALDH1A1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5664985 0.75 HTR6 (0.47) MMP1HSD11B1ALDH1A1L3MBTL1CYP3A4
SCHEMBL1282212 0.75 MMP1 (0.55) MMP1KIF11HSD11B1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
WO-2024042448-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RUXOLITINIB GRANULES INDIA LIMITED (IN) 2024-02-29 WO claimed
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND PRIMEGENE (BEIJING) CO., LTD. (CN) 2023-09-28 US claimed
EP-4206205-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND Primegene (Beijing) Co., Ltd. (CN) 2023-07-05 EP claimed
EP-3985008-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR Incyte Holdings Corporation (US) 2022-04-20 EP claimed
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US claimed
EP-3398952-B1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 EP claimed
EP-3473625-B1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-06-02 EP claimed
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US claimed
US-10562904-B2 Synthesis process of ruxolitinib CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-18 US claimed
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2016-12-01 US claimed
WO-2016035014-A1 PROCESSES FOR THE PREPARATION OF RUXOLITINIB PHOSPHATE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-03-10 WO claimed
EP-2964650-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR Incyte Corporation (US) 2016-01-13 EP claimed
US-8987443-B2 Processes and intermediates for making a JAK inhibitor INCYTE CORPORATION (US) 2015-03-24 US claimed
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US claimed
WO-2014138168-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2014-09-12 WO claimed
US-20140256941-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2014-09-11 US claimed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US claimed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US claimed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 MMP1 4834/4885KIF11 4032/4885HSD11B1 4439/4885
US-10562904-B2 Synthesis process of ruxolitinib JAK3, JAK1, JAK2 MMP1 4303/4885KIF11 2413/4885HSD11B1 685/4885
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND DPYD, RPLP2, DHPS MMP1 4658/4885KIF11 1748/4885HSD11B1 2017/4885
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 MMP1 4312/4885KIF11 2263/4885HSD11B1 2157/4885
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound DHPS, DPYD, MPHOSPH6 MMP1 4034/4885KIF11 1051/4885HSD11B1 110/4885
US-20140256941-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 MMP1 2418/4885KIF11 3417/4885HSD11B1 2616/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 MMP1 4834/4885KIF11 4032/4885HSD11B1 4439/4885
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 MMP1 2418/4885KIF11 3417/4885HSD11B1 2616/4885

“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.