SCHEMBL6711266

SCHEMBL6711266

Cc1ccc(S(=O)[O-])cc1.Cc1ccc(S(=O)[O-])cc1.[Cu+2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.40
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 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
SCHEMBL19712281 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Silver SCHEMBL10840126 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL6711632 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL1022294 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Potassium Ion SCHEMBL1024086 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL3155238 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Lithium Ion SCHEMBL411846 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Zinc Ion SCHEMBL1863861 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
SCHEMBL64752 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9ACHETDP1
Water SCHEMBL3841382 0.92 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039813-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CHLORO METHYL CEPHEM DERIVATIVES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-05-13 WO claimed
US-20040002600-A1 Process for the conversion of penam ring system to cepham ring system ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2004-01-01 US claimed
WO-2004000848-A1 PROCESS FOR THE CONVERSION OF PENAM RING SYSTEM TO CEPHAM RING SYSTEM ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2003-12-31 WO claimed
WO-2004039813-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CHLORO METHYL CEPHEM DERIVATIVES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-05-13 WO disclosed
US-20040002600-A1 Process for the conversion of penam ring system to cepham ring system ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2004-01-01 US disclosed
EP-0334376-B1 ADHESIVE COMPOSITIONS MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-05-19 EP disclosed
EP-0334376-A2 Adhesive compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1989-09-27 EP disclosed
US-4496694-A BLEND OF POLYMERIZABLE MONOMER AND ALDEHYDE/AMINE CONDENSATION PRODUCT CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
US-4052244-A ACRYLIC AND SACCHARIN COMPOUND, P-TOLUENESULFINATE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1977-10-04 US 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-20040002600-A1 Process for the conversion of penam ring system to cepham ring system CBR1, CBR3, CD79B ALDH1A1 1412/4885CYP3A4 147/4885CYP2C9 62/4885

“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.