SCHEMBL6821795

SCHEMBL6821795

CCC1CCCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
ALB P02768 1/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL6830587 0.91 ALB (0.44) KMT2AMEN1MAPTLMNAALB
SCHEMBL6818191 0.91 ALB (0.42) KMT2AMEN1MAPTLMNAALB
SCHEMBL6834003 0.90 ALB (0.42) ALB
SCHEMBL6830175 0.87 ALB (0.46) KMT2AMEN1MAPTALBTP53
SCHEMBL6830277 0.87 ALB (0.45) KMT2AMEN1MAPTLMNAALB
SCHEMBL6932502 0.85 ALB (0.54) KMT2AMEN1MAPTLMNAALB
SCHEMBL6930797 0.84 ALB (0.53) KMT2AMEN1MAPTLMNAALB
SCHEMBL6351571 0.83 ALB (0.61) KMT2AMEN1MAPTLMNAALB
SCHEMBL6817870 0.82 ALB (0.51) KMT2AMEN1MAPTLMNAALB
SCHEMBL6814358 0.82 ALB (0.51) KMT2AMEN1MAPTLMNAALB

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 2 patents. 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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885MAPT 4759/4885

“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.