SCHEMBL6926767

SCHEMBL6926767

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 3/20 0.57
CYP2C19 P33261 1/20 0.57
PYGL P06737 1/20 0.57
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
TYK2 P29597 1/20 0.57
AVPR2 P30518 2/20 0.55
GPR27 Q9NS67 2/20 0.55
POLB P06746 1/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ATM Q13315 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
HSD11B1 P28845 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL6931498 0.85 MEN1 (0.56) MEN1KMT2AMAPTCYP2C19PYGL
SCHEMBL6931493 0.85 MEN1 (0.56) MEN1KMT2AMAPTCYP2C19PYGL
SCHEMBL6925253 0.83 TP53 (0.58) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL7330825 0.80 JAK2 (0.66) MEN1KMT2AMAPTCYP2C19PYGL
SCHEMBL6929654 0.80 KDM4E (0.68) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL6931350 0.79 TP53 (0.60) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL2227567 0.78 MEN1 (0.76) MEN1KMT2AMAPTCYP2C19PYGL
SCHEMBL481408 0.78 ALDH1A1 (0.65) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL14228391 0.77 JAK2 (0.69) MEN1KMT2AMAPTCYP2C19PYGL
SCHEMBL6930314 0.77 TYK2 (0.54) KMT2AMAPTCYP2C19JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 MEN1 3055/4885KMT2A 4700/4885MAPT 718/4885

“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.