SCHEMBL6835705

SCHEMBL6835705

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
PIK3CA P42336 1/20 0.36
CNR1 P21554 1/20 0.35
F11 P03951 1/20 0.35
GPR6 P46095 1/20 0.35
TNF P01375 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6932502 0.86 ALB (0.54) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6930797 0.86 ALB (0.53) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6818779 0.85 ALB (0.51) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6821950 0.84 ALB (0.46) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6835846 0.84 ALB (0.66) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6814358 0.83 ALB (0.51) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6817870 0.83 ALB (0.51) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6834002 0.83 MAPT (0.52) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6834232 0.82 PPARG (0.53) ALBMEN1KMT2ATP53POLB
SCHEMBL6357358 0.82 ALB (0.70) ALBMEN1KMT2ATP53SMN1; SMN2

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885MEN1 4132/4885KMT2A 2853/4885

“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.