SCHEMBL12398243

SCHEMBL12398243

C[C@@H](CS(=O)(=O)c1nnnn1-c1ccccc1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.58
MAPT P10636 9/20 0.58
LMNA P02545 7/20 0.53
HTT P42858 7/20 0.53
TP53 P04637 5/20 0.53
NPSR1 Q6W5P4 5/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
RAB9A P51151 2/20 0.43
PTPRB P23467 1/20 0.40
CCR6 P51684 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
GFER P55789 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL12398239 0.90 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL12464772 0.90 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL21482478 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL21486317 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL25761013 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL2978401 0.79 ALDH1A1 (0.71) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL16075755 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL21464648 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL21482480 0.78 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL21464429 0.78 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHTTTP53

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-9212136-B2 Methods for producing paricalcitol AZAD PHARMACEUTICALS INGREDIENTS AG (CH) 2015-12-15 US disclosed
US-20110184199-A1 Methods For Producing Paricalcitol AZAD PHARMA AG (CH) 2011-07-28 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-20110184199-A1 Methods For Producing Paricalcitol CYP2R1, PTH1R, CYP24A1 ALDH1A1 3875/4885MAPT 3142/4885LMNA 1839/4885

“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.