SCHEMBL4872038

SCHEMBL4872038

COc1cccc([C@]2(CNS(=O)(=O)c3ccc(C)cc3)CC[C@@H](NCc3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP13 P45452 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 1/20 0.39
GPR55 Q9Y2T6 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL4872048 1.00 MMP1 (0.46) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL4887076 0.95 MMP1 (0.46) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL4887085 0.95 MMP1 (0.46) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL4874770 0.88 ALDH1A1 (0.43) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL4874777 0.88 ALDH1A1 (0.43) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL14194850 0.87 ALDH1A1 (0.43) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL14194851 0.87 ALDH1A1 (0.43) MMP1MMP2MMP3MMP13ALDH1A1
Hydrochloric Acid SCHEMBL4878687 0.86 MEN1 (0.44) MMP1MMP2MMP3MMP13ALDH1A1
SCHEMBL14194853 0.86 ALDH1A1 (0.42) MMP1MMP2MMP3MMP13ALDH1A1
Hydrochloric Acid SCHEMBL4878698 0.86 MEN1 (0.44) MMP1MMP2MMP3MMP13ALDH1A1

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
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 MMP1 3963/4885MMP2 3066/4885MMP3 2146/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 MMP1 2404/4885MMP2 1995/4885MMP3 1780/4885

“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.