SCHEMBL6877899

SCHEMBL6877899

CS(=O)(=O)c1ncc(C(=O)O)c(Oc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TLR9 Q9NR96 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 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
SCHEMBL6881040 0.88 MAPT (0.49) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL16671203 0.87 MEN1 (0.46) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL6880043 0.85 HTT (0.51) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL6880918 0.85 MEN1 (0.47) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL26984437 0.85 CYP1A2 (0.67) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL30830216 0.85 CYP1A2 (0.67) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL6872452 0.84 KMT2A (0.43) MEN1KMT2ATDP1POLBMAPT
SCHEMBL6871084 0.84 PIN1 (0.46) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL6875869 0.83 TDP1 (0.47) MEN1KMT2ATDP1CYP1A2CYP2C9
SCHEMBL6875873 0.78 CYP1A2 (0.51) MEN1KMT2ATDP1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
US-6787539-B2 HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1339698-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 US disclosed
WO-2002042280-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO 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-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 MEN1 3228/4885KMT2A 1436/4885TDP1 3804/4885

“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.