SCHEMBL6197686

SCHEMBL6197686

C=C(C(=O)N1CCCC(C(=O)NS(=O)(=O)CC)C1)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 3/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL6198649 0.92 STS (0.39) LMNAPOLBHTTSMN1; SMN2STS
SCHEMBL6199516 0.91 KDM4E (0.36) RHOALMNAPOLBHTTSMN1; SMN2
SCHEMBL6196754 0.89 ITGB2 (0.37) RHOALMNAPOLBCYP2C9CYP2C19
SCHEMBL6198455 0.88 ALDH1A1 (0.42) POLBHTTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL6194588 0.88 ALDH1A1 (0.42) POLBHTTSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL6196025 0.85 CYP2C9 (0.36) LMNAPOLBCYP2C9GAACYP2C19
SCHEMBL6198126 0.83 ALDH1A1 (0.37) POLBSMN1; SMN2ALDH1A1CYP2C9CYP2D6
SCHEMBL6196884 0.82 CYP2C9 (0.37) LMNAPOLBSMN1; SMN2CYP2C9GAA
SCHEMBL6198867 0.82 CYP2C9 (0.35) LMNACYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6200681 0.81 MEN1 (0.34) LMNACYP2C9CYP2C19HTR2BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM RHOA 528/4885LMNA 2599/4885POLB 4817/4885

“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.