SCHEMBL2420558

SCHEMBL2420558

COC(=O)C(N)C(C)(C)S

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
PTGS1 P23219 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 3/20 0.32
CA12 O43570 2/20 0.31
DPP4 P27487 1/20 0.31
KMT2A Q03164 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
SCHEMBL5250175 1.00 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL1708960 1.00 ALDH1A1 (0.56) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL2424957 0.98 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL2424956 0.98 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL2029100 0.98 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL11720401 0.88 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL500459 0.80 SMN1; SMN2 (0.42) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL20879474 0.80 SMN1; SMN2 (0.42) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL500460 0.80 SMN1; SMN2 (0.42) ALDH1A1MAPTPTGS1SMN1; SMN2CA1
SCHEMBL24932901 0.79 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699672-B1 METHOD TO PRODUCE VIRUS IN CULTURED CELLS UNIV PRINCETON (US) 2019-12-25 EP claimed
WO-2017060914-A2 PENICILLAMINE AND ITS DERIVATIVES ARE USED IN THE TREATMENT OF COPPER TOXICITY AND NASH Krisani Biosciences (P) Ltd. (IN) 2017-04-13 WO disclosed
US-9102636-B2 Analgesic compounds, compositions, and uses thereof GALLEON PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
EP-2544542-A1 ANALGESIC COMPOUNDS, COMPOSITIONS, AND USES THEREOF Galleon Pharmaceuticals, Inc. (US) 2013-01-16 EP disclosed
US-20120202860-A2 Analgesic Compounds, Compositions and Uses Thereof GALLEON PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110224269-A1 Analgesic Compounds, Compositions, and Uses Thereof GALLEON PHARMACEUTICALS, INC. 2011-09-15 US disclosed
WO-2011112602-A1 ANALGESIC COMPOUNDS, COMPOSITIONS, AND USES THEREOF GALLEON PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 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 (2 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-20110224269-A1 Analgesic Compounds, Compositions, and Uses Thereof OPRL1, OPRK1, ACHE ALDH1A1 291/4885MAPT 1007/4885PTGS1 15/4885
US-20120202860-A2 Analgesic Compounds, Compositions and Uses Thereof OPRL1, OPRK1, ACHE ALDH1A1 364/4885MAPT 1243/4885PTGS1 14/4885

“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.