SCHEMBL3249239

SCHEMBL3249239

O=S(=O)(Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2J2 P51589 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4F8 P98187 1/20 0.40

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
SCHEMBL6970319 0.77 ALDH1A1 (0.43) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL7347251 0.77 ALDH1A1 (0.43) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL3257925 0.73 RPA1 (0.41) CYP1A1CYP1A2CYP1B1MMP13PTGS2
SCHEMBL3071920 0.71 KIF11 (0.66) KIF11MMP13PTGS2
SCHEMBL29273187 0.71 KIF11 (0.68) KIF11CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL219153 0.70 ALDH1A1 (0.48) CYP1A2CYP2C19
SCHEMBL10222192 0.69 PRMT1 (0.48) KIF11CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL2158436 0.69 KDM4E (0.66) KIF11CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL2318440 0.69 CYP1A1 (0.42) KIF11CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL28133842 0.68 CYP1A1 (0.47) KIF11CYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 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 (2 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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 KIF11 3100/4885CYP1A1 270/4885CYP1A2 268/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 KIF11 4140/4885CYP1A1 149/4885CYP1A2 182/4885

“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.