SCHEMBL854904

SCHEMBL854904

N[C@@H](CS)C(=O)OC1NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL854268 0.86 RGS12 (0.38) RGS12TSHRALDH1A1HTTIDO1
SCHEMBL2974813 0.83 RGS12 (0.36) RGS12TSHRALDH1A1HTTIDO1
SCHEMBL7262368 0.80 LMNA (0.38) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL11174650 0.80 GSR (0.40) RGS12TSHR
SCHEMBL6250456 0.79 TSHR (0.40) RGS12TSHRALDH1A1HTTTDP1
SCHEMBL4622448 0.79 RGS12 (0.33) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL854710 0.79 RGS12 (0.33) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6534572 0.75 RGS12 (0.34) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL6534591 0.75 RGS12 (0.34) RGS12TSHRALDH1A1HTTSMN1; SMN2
SCHEMBL11537769 0.74 TSHR (0.47) RGS12TSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420683-B2 5 substituted hydantoins DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-04-16 US disclosed
EP-2150538-B1 NOVEL 5-SUBSTITUTED HYDANTOINS DSM SINOCHEM PHARM NL BV (NL) 2012-03-28 EP disclosed
US-20100174092-A1 NOVEL 5 SUBSTITUTED HYDANTOINS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2010-07-08 US disclosed
EP-2150538-A2 NOVEL 5-SUBSTITUTED HYDANTOINS DSM IP Assets B.V. (NL) 2010-02-10 EP disclosed
WO-2008148755-A2 NOVEL 5-SUBSTITUTED HYDANTOINS DSM IP ASSETS B.V. (NL) 2008-12-11 WO disclosed
US-5250699-A Intermediates in the preparation of biotins MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-05 US disclosed
US-5250699-A Intermediates in the preparation of biotins MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-05 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-20100174092-A1 NOVEL 5 SUBSTITUTED HYDANTOINS CYP3A5, REN, ACE RGS12 863/4885TSHR 4789/4885PTGS1 593/4885

“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.