SCHEMBL6504669

SCHEMBL6504669

CC(C)(C)OC(=O)CC(N)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.47
SLC1A3 P43003 3/20 0.47
SLC1A1 P43005 3/20 0.47
CA9 Q16790 2/20 0.43
ABCB1 P08183 1/20 0.43
LARS1 Q9P2J5 1/20 0.43
CA2 P00918 1/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADAMTS4 O75173 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7154119 0.82 TSHR (0.48) SLC1A2SLC1A3SLC1A1LARS1CYP2C19
Hydrochloric Acid SCHEMBL7379866 0.81 TSHR (0.47) SLC1A2SLC1A3SLC1A1LARS1CYP2C19
SCHEMBL7377408 0.80 ABCB1 (0.41) SLC1A2SLC1A3SLC1A1CA9ABCB1
SCHEMBL7376542 0.79 SLC1A3 (0.57) SLC1A2SLC1A3SLC1A1CA9LARS1
SCHEMBL8458587 0.78 SLC1A3 (0.47) SLC1A2SLC1A3SLC1A1CA9LARS1
SCHEMBL7398124 0.77 POLB (0.45) SLC1A2SLC1A3SLC1A1CA9CA2
SCHEMBL569561 0.77 MMP9 (0.49) CA9CA2ADAMTS4MMP2
SCHEMBL7746226 0.77 HSD11B1 (0.44) CA9ABCB1CA2ALDH1A1
Trifluoroacetic Acid SCHEMBL7998510 0.76 ABCB1 (0.42) CA9ABCB1CA2ALDH1A1MAPT
SCHEMBL7215717 0.76 ALDH1A1 (0.47) SLC1A2SLC1A3SLC1A1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 SLC1A2 3597/4885SLC1A3 3665/4885SLC1A1 4007/4885

“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.