SCHEMBL4874777

SCHEMBL4874777

COc1cccc(C2(CNS(C)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP13 P45452 2/20 0.41
TACR1 P25103 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
FAAH O00519 1/20 0.38
NAAA Q02083 1/20 0.38
SOAT1 P35610 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HDAC1 Q13547 1/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 2/20 0.36
FABP6 P51161 1/20 0.36

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
SCHEMBL4874770 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL14194850 0.92 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL14194851 0.92 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AMMP1
Hydrochloric Acid SCHEMBL4878687 0.91 MEN1 (0.44) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL4887085 0.91 MMP1 (0.46) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL14194853 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL4887076 0.91 MMP1 (0.46) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL4879294 0.91 MEN1 (0.41) ALDH1A1MEN1KMT2ARAB9AMMP1
SCHEMBL4879286 0.91 MEN1 (0.41) ALDH1A1MEN1KMT2ARAB9AMMP1
Hydrochloric Acid SCHEMBL4882557 0.91 MEN1 (0.44) ALDH1A1MEN1KMT2ARAB9AMMP1

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 4 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-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 ALDH1A1 2899/4885MEN1 3740/4885KMT2A 1132/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885MEN1 3200/4885KMT2A 1301/4885

“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.