SCHEMBL6805741

SCHEMBL6805741

O=S(=O)(c1ccccc1)N1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
LMNA P02545 2/20 0.81
GAA P10253 2/20 0.78
USP2 O75604 1/20 0.75
TSHR P16473 2/20 0.70
THRB P10828 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
POLB P06746 2/20 0.68
APOBEC3A P31941 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PKM P14618 1/20 0.66
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL1988224 1.00 ALDH1A1 (0.81) ALDH1A1LMNAGAAUSP2TSHR
SCHEMBL1902263 0.98 ALDH1A1 (0.85) ALDH1A1LMNAGAAUSP2TSHR
SCHEMBL10445162 0.98 ALDH1A1 (0.85) ALDH1A1LMNAGAAUSP2TSHR
SCHEMBL14470279 0.95 ALDH1A1 (0.75) ALDH1A1LMNAGAAUSP2TSHR
SCHEMBL2300296 0.94 ALDH1A1 (0.73) ALDH1A1LMNAGAAUSP2TSHR
SCHEMBL3830424 0.91 POLB (0.80) ALDH1A1LMNAGAATSHRPOLB
SCHEMBL7122592 0.91 POLB (0.80) ALDH1A1LMNAGAATSHRPOLB
SCHEMBL735657 0.91 POLB (0.80) ALDH1A1LMNAGAATSHRPOLB
SCHEMBL5407453 0.88 ALDH1A1 (1.00) ALDH1A1LMNAGAAUSP2TSHR
Isothiocyanate SCHEMBL6156518 0.87 ALDH1A1 (0.70) ALDH1A1LMNAGAAUSP2TSHR

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-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US claimed

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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885LMNA 875/4885GAA 2394/4885

“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.