SCHEMBL4978574

SCHEMBL4978574

O=S(=O)(NCc1ccncc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.51
LMNA P02545 8/20 0.51
HTT P42858 9/20 0.49
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
NR2F2 P24468 3/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
GALR3 O60755 1/20 0.45
NPC1 O15118 1/20 0.45
GRIA2 P42262 1/20 0.44
NAMPT P43490 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3811125 0.81 CA12 (0.59) SMN1; SMN2LMNAHTTL3MBTL1POLB
SCHEMBL6050990 0.80 CYP1A2 (0.51) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL6050992 0.79 CA2 (0.49) SMN1; SMN2LMNAPOLBRAB9AGRIA2
SCHEMBL18109262 0.79 GRIA2 (0.41) SMN1; SMN2ALDH1A1GRIA2
SCHEMBL15721401 0.79 KMT2A (0.53) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL1115782 0.79 CA2 (0.50) ALDH1A1GRIA2CYP3A4TSHR
SCHEMBL16510827 0.75 MAPK13 (0.51) MAPK1
SCHEMBL10187817 0.75 GRIA2 (0.44) SMN1; SMN2LMNAHTTGAAL3MBTL1
SCHEMBL6050965 0.75 HTT (0.58) SMN1; SMN2LMNAHTTALDH1A1USP2
SCHEMBL4426600 0.75 KMT2A (0.61) L3MBTL1POLBALDH1A1GRIA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
EP-1505945-A4 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP SMN1; SMN2 4827/4885LMNA 3287/4885HTT 3541/4885

“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.