SCHEMBL8055249

SCHEMBL8055249

CN(C(=O)OCc1ccccc1)c1cccc2c(S(=O)(=O)Cl)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.40
TGM2 P21980 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29892548 1.00 TYMS (0.40) TYMSTGM2ALDH1A1CA2CYP1A2
SCHEMBL25255849 0.89 TGM2 (0.42) TYMSTGM2ALDH1A1CA2CYP1A2
SCHEMBL29892562 0.89 TGM2 (0.42) TYMSTGM2ALDH1A1CA2CYP1A2
SCHEMBL27083185 0.79 CA2 (0.47) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL25295334 0.75 RAB9A (0.47) ALDH1A1HTTHIF1AMAPTHDAC1
Bicarbonate SCHEMBL28267246 0.75 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL18526138 0.74 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTHPGD
SCHEMBL30821923 0.73 KMT2A (0.43) ALDH1A1CYP2C19HIF1ATDP1L3MBTL1
SCHEMBL8042550 0.73 NPC1 (0.54) TYMSALDH1A1CA2HPGD
SCHEMBL8042552 0.73 NSD2 (0.35) TGM2ALDH1A1CA2CYP1A2CYP2C19

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
US-20230227417-A1 SUBSTITUTED NAPHTHYL P38ALPHA MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS GEN1E LIFESCIENCES INC. 2023-07-20 US disclosed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US disclosed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US disclosed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 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 (1 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-20230227417-A1 SUBSTITUTED NAPHTHYL P38ALPHA MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPKAPK2 TYMS 2776/4885TGM2 2862/4885ALDH1A1 2688/4885

“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.