Sulfuric Acid

Sulfuric Acid

SCHEMBL23457136

O=C(O)C(F)(F)c1ccc(Cl)cc1.O=S(=O)(O)O

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
GRB2 P62993 1/20 0.44
KDM1A O60341 1/20 0.42
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX15 P16050 1/20 0.39
ACLY P53396 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4312243 0.92 MIF (0.50) MIFGRB2KDM1ATSHRCYP1A2
Hydrochloric Acid SCHEMBL23457137 0.90 MIF (0.48) MIFGRB2KDM1ATSHRCYP1A2
Phosphoric Acid SCHEMBL23457138 0.85 MIF (0.44) MIFGRB2FLT1FLT4KDR
SCHEMBL13199203 0.81 GRB2 (0.57) GRB2CYP1A2MEN1KMT2ACYP2C19
SCHEMBL23067415 0.79 MIF (0.43) MIFGRB2TSHRCYP1A2CYP3A4
SCHEMBL23067479 0.79 GRB2 (0.42) MIFGRB2KDM1ATSHRCYP1A2
SCHEMBL8255103 0.75 MIF (0.45) MIFFLT1FLT4KDRTSHR
SCHEMBL13199251 0.74 GRB2 (0.52) GRB2KDM1A
SCHEMBL23588301 0.74 CES2 (0.56) GRB2TSHRCYP1A2
SCHEMBL16595347 0.74 CYP2A6 (0.41) MIFGRB2TSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761004-A Process for the preparation of 2- (4-chlorophenyl) -N- ((2- (2, 6-dioxopiperidin-3-yl) -1-oxoisoindolin-5-yl) methyl) -2, 2-difluoroacetamide 细胞基因公司 2022-07-15 CN disclosed
US-20220213056-A1 PROCESSES FOR PREPARING 2-(4-CHLOROPHENYL)-N-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-5-YL)METHYL)-2,2-DIFLUOROACETAMIDE CELGENE CORP (US) 2022-07-07 US disclosed
US-11312699-B2 Processes for preparing 2-(4-chlorophenyl)-N-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-2,2-difluoroacetamide CELGENE CORPORATION (US) 2022-04-26 US disclosed
US-20210171493-A1 PROCESSES FOR PREPARING 2-(4-CHLOROPHENYL)-N-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-5-YL)METHYL)-2,2-DIFLUOROACETAMIDE CELGENE CORPORATION 2021-06-10 US disclosed
WO-2021113566-A1 PROCESSES FOR PREPARING 2-(4-CHLOROPHENYL)-N-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-5-YL)METHYL)-2,2-DIFLUOROACETAMIDE CELGENE CORPORATION (US) 2021-06-10 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-20210171493-A1 PROCESSES FOR PREPARING 2-(4-CHLOROPHENYL)-N-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-5-YL)METHYL)-2,2-DIFLUOROACETAMIDE DCPS, DNMT1, DPYD MIF 4178/4885GRB2 1282/4885KDM1A 1155/4885
US-20220213056-A1 PROCESSES FOR PREPARING 2-(4-CHLOROPHENYL)-N-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-5-YL)METHYL)-2,2-DIFLUOROACETAMIDE DCPS, DNMT1, DPYD MIF 4178/4885GRB2 1282/4885KDM1A 1155/4885
US-11312699-B2 Processes for preparing 2-(4-chlorophenyl)-N-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)methyl)-2,2-difluoroacetamide DCPS, DNMT1, DPYD MIF 4178/4885GRB2 1282/4885KDM1A 1155/4885

“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.