SCHEMBL5549948

SCHEMBL5549948

NC1CCC(CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
GBA1 P04062 1/20 0.45
CRBN Q96SW2 1/20 0.44
PSIP1 O75475 1/20 0.42
CCR2 P41597 1/20 0.40
AGTR2 P50052 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL5549164 1.00 ALDH1A1 (0.46) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL5543222 1.00 ALDH1A1 (0.46) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL5545228 0.79 PSEN1 (0.41) KMT2ARIPK1POLBRAB9AMAOA
SCHEMBL15226077 0.74 ALDH1A1 (0.56) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL12688382 0.73 KMT2A (0.43) ALDH1A1MMP2KMT2A
SCHEMBL12688461 0.73 KMT2A (0.43) ALDH1A1MMP2KMT2A
SCHEMBL20598428 0.73 ALDH1A1 (0.41) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL20598429 0.73 ALDH1A1 (0.41) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL6788957 0.71 MAPT (0.57) ALDH1A1MAPTGAAGBA1CRBN
SCHEMBL12688400 0.71 KMT2A (0.44) ALDH1A1MMP2KMT2AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 ALDH1A1 1221/4885MAPT 2965/4885GAA 130/4885

“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.