SCHEMBL25753673

SCHEMBL25753673

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.43
PNP P00491 1/20 0.39
GLA P06280 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
DCAF1 Q9Y4B6 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2B6 P20813 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL24036979 1.00 WDR5 (0.43) WDR5PNPGLAADRB2ADRB1
SCHEMBL17857554 0.90 L3MBTL1 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL18898546 0.90 L3MBTL1 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL17841455 0.88 CTSA (0.44) DCAF1MEN1KMT2AHPGDALDH1A1
SCHEMBL17841456 0.88 CTSA (0.44) DCAF1MEN1KMT2AHPGDALDH1A1
SCHEMBL18898567 0.88 EPHX2 (0.37) WDR5ADRB1ADRB3DCAF1ALDH1A1
SCHEMBL25753602 0.88 L3MBTL1 (0.37) WDR5MEN1KMT2AHPGDALDH1A1
SCHEMBL25622879 0.88 L3MBTL1 (0.37) WDR5MEN1KMT2AHPGDALDH1A1
SCHEMBL24036777 0.88 L3MBTL1 (0.37) WDR5MEN1KMT2AHPGDALDH1A1
SCHEMBL24036985 0.86 KCNA5 (0.47) MEN1KMT2AALDH1A1RECQL

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 WDR5 2145/4885PNP 189/4885GLA 3499/4885

“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.