SCHEMBL14764729

SCHEMBL14764729

C=CCC1(O)CC(C(=O)O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.34
GRM6 O15303 1/20 0.34
GRM2 Q14416 4/20 0.33
GRM3 Q14832 2/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MMP2 P08253 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
SCHEMBL10987961 0.71 ELANE (0.44)
SCHEMBL23274047 0.68 CHRM2 (0.38) ALDH1A1KMT2A
SCHEMBL991996 0.68 CHRM2 (0.38) ALDH1A1KMT2A
SCHEMBL4047414 0.68 CHRM2 (0.38) ALDH1A1KMT2A
SCHEMBL23415565 0.67 CHRM2 (0.37) ALDH1A1
SCHEMBL23415467 0.67 CHRM2 (0.37) ALDH1A1
SCHEMBL23415469 0.67 CHRM2 (0.37) ALDH1A1
SCHEMBL5512137 0.66 HSD17B10 (0.36)
SCHEMBL5688778 0.66 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL5688772 0.66 ALDH1A1 (0.40) ALDH1A1LMNA

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-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 US disclosed
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2015-02-26 US disclosed
US-8895607-B2 Inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2014-11-25 US disclosed
US-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2013-03-14 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 (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-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1325/4885TSHR 3820/4885HTT 408/4885
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1172/4885TSHR 3483/4885HTT 347/4885

“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.