SCHEMBL6493616

SCHEMBL6493616

CC(C)(C)OC(=O)C(N)(CNC(=O)c1ccc(C(=O)O)s1)S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
HDAC4 P56524 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC3 O15379 5/20 0.36
ACKR3 P25106 1/20 0.35
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2C19 P33261 1/20 0.33
MME P08473 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27403626 0.74 CA1 (0.47) CA12CA1CA7CA14
SCHEMBL6493323 0.72 ITGB3 (0.48)
SCHEMBL6492757 0.72 ITGB3 (0.48)
SCHEMBL6502310 0.68 GAA (0.48) HDAC4HDAC1HDAC6HDAC3ACKR3
SCHEMBL3786249 0.65 SMN1; SMN2 (0.45) TSHRSMN1; SMN2POLBKMT2A
SCHEMBL6493656 0.65 LMNA (0.42) NPC1RAB9APOLBKMT2A
SCHEMBL6493618 0.64 ABCB1 (0.35) HDAC4HDAC1HDAC6HDAC3CA12
SCHEMBL16011573 0.64 HDAC4 (0.65) HDAC4HDAC1HDAC6HDAC3NPC1
SCHEMBL8549436 0.64 DAO (0.48) HDAC4HDAC1HDAC6HDAC3TSHR
SCHEMBL277556 0.63 NPSR1 (0.49) HDAC4HDAC1HDAC6HDAC3TSHR

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-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
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 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 PRSS1 1224/4885CTSG 2162/4885CTRB1 3565/4885

“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.