SCHEMBL3491102

SCHEMBL3491102

CC(C)(S)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MMP2 P08253 6/20 0.35
▸ MMP3 P08254 6/20 0.35
▸ MMP1 P03956 3/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ PDF Q9HBH1 1/20 0.35
▸ OPRM1 P35372 3/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ GRIK1 P39086 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ BHMT Q93088 1/20 0.32

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
SCHEMBL30350403 0.85 SLC7A5 (0.48) ALDH1A1MAPTPTGS1MMP3MMP1
SCHEMBL29666118 0.85 PTGS1 (0.45) ALDH1A1MAPTPTGS1MMP2MMP1
SCHEMBL29378289 0.85 PTGS1 (0.42) ALDH1A1MAPTPTGS1OPRM1DPP4
SCHEMBL31091497 0.84 DPP4 (0.53) ALDH1A1MAPTPTGS1DPP4DPP8
SCHEMBL31222374 0.83 PTGS1 (0.41) ALDH1A1MAPTPTGS1OPRM1DPP4
SCHEMBL31680489 0.82 PTGS1 (0.40) ALDH1A1MAPTPTGS1OPRM1DPP4
SCHEMBL30350525 0.81 SLC1A3 (0.40) ALDH1A1MAPTPTGS1MMP3MMP1
SCHEMBL29378707 0.80 DPP8 (0.51) ALDH1A1MAPTPTGS1OPRM1DPP4
SCHEMBL31258939 0.80 DPP7 (0.47) ALDH1A1MAPTPTGS1MMP2DPP4
SCHEMBL29376144 0.79 ALDH1A1 (0.57) ALDH1A1MAPTPTGS1OPRM1DPP4

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-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 — — US disclosed
US-7371721-B2 Use of GLP-2 and related compounds for the treatment, prevention, diagnosis, and prognosis of bone-related disorders and calcium homeostasis related syndromes SANOS BIOSCIENCE A/S (DK) 2008-05-13 — — 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-20100099640-A1 TISSUE DEGENERATION PROTECTION SORD, CASP3, TXNRD2 ALDH1A1 325/4885MAPT 1418/4885PTGS1 103/4885

“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.

Send feedback