SCHEMBL6918629

SCHEMBL6918629

CCS(=O)(=O)N1CCCC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.41
AKR1C3 P42330 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21795445 0.88 KDM4E (0.42) TSHRALDH1A1BRD4KDM4EGAA
SCHEMBL18419741 0.86 JAK2 (0.49) TSHRCYP1A2KMT2ABRD4AKR1C3
SCHEMBL5371884 0.83 TSHR (0.53) TSHRALDH1A1CYP1A2KMT2AAKR1C3
SCHEMBL22644496 0.83 TSHR (0.53) TSHRALDH1A1CYP1A2KMT2AAKR1C3
SCHEMBL16480067 0.80 JAK2 (0.47) ALDH1A1AKR1C3KDM4EALOX15POLB
SCHEMBL18322797 0.78 L3MBTL1 (0.35) TSHRALDH1A1KDM4EGAAALOX15
SCHEMBL12522682 0.78 TSHR (0.46) TSHRALDH1A1CYP1A2KMT2AAKR1C3
SCHEMBL19028331 0.77 MEN1 (0.44) TSHRALDH1A1KMT2ABRD4AKR1C3
SCHEMBL12765364 0.77 TSHR (0.41) TSHRALDH1A1BRD4AKR1C3POLB
SCHEMBL16477302 0.77 JAK3 (0.45) TSHRAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 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-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 TSHR 4036/4885ALDH1A1 915/4885USP2 3372/4885

“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.