SCHEMBL6398798

SCHEMBL6398798

CC(=O)SC(C)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
ECE1 P42892 2/20 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
SCHEMBL27515423 1.00 TSHR (0.44) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL11094685 0.79 TSHR (0.30) TSHRALDH1A1TDP1
SCHEMBL11093541 0.79 TSHR (0.30) TSHRALDH1A1TDP1
SCHEMBL5132296 0.78 TSHR (0.50) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL6536885 0.77 ECE1 (0.34) HPGDALDH1A1TDP1LMNAALOX15
Hydrochloric Acid SCHEMBL11449331 0.76 TSHR (0.49) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL7341604 0.76 TSHR (0.44) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL2964153 0.75
Hydrochloric Acid SCHEMBL10490865 0.73
SCHEMBL8500057 0.73 TSHR (0.46) TSHRMEN1HPGDKMT2AALDH1A1

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
CN-102659643-B A kind of by α, beta-unsaturated acyl amine prepares the method replacing Homotaurine BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2015-10-14 CN disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 TSHR 2489/4885MEN1 3773/4885HPGD 3127/4885

“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.