SCHEMBL6040335

SCHEMBL6040335

NC(=O)[C@]1(O)OCCN1c1ccc(C2CC[S+]([O-])CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 3/20 0.31
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL3043385 0.67 MAOA (0.49) DGAT1
SCHEMBL6040340 0.66 QPCT (0.34) DGAT1
SCHEMBL26972381 0.64 HDAC2 (0.30) DGAT1
SCHEMBL24107489 0.63 HAO1 (0.44) NPC1USP2ALDH1A1
SCHEMBL26972383 0.62
SCHEMBL31396680 0.62 SLC18A3 (0.41)
SCHEMBL5766169 0.62 F10 (0.41) DGAT1
SCHEMBL5889326 0.62 F10 (0.55)
SCHEMBL26972851 0.62
SCHEMBL26972385 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MMP2 159/4885MMP9 501/4885MMP13 568/4885

“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.