SCHEMBL770251

SCHEMBL770251

O=C(NCCCNC(=S)NCC1CCCCC1)N1CCC2CCCCC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 2/20 0.35
HSD11B1 P28845 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL771106 0.86 ITGB3 (0.39) KDM4EFPR3FPR2CA12CA1
SCHEMBL770825 0.83 KMT2A (0.49) KDM4ELMNAALDH1A1KEAP1NFE2L2
SCHEMBL771409 0.81 CA12 (0.39) KDM4EFPR3FPR2CA12CA1
SCHEMBL770005 0.81 HDAC4 (0.37) LMNAHSD11B1HDAC4HDAC1CHRM1
SCHEMBL770354 0.79 HRH3 (0.48) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL770739 0.79 HRH3 (0.45) KDM4ECA12CA1CA2MMP1
SCHEMBL772095 0.78 EPHX2 (0.58) LMNAEPHX1HSD11B1ALDH1A1HTT
SCHEMBL770881 0.77 TPSAB1 (0.48) ITGB3ITGA2BLMNAHSD11B1CHRM1
SCHEMBL802257 0.77 HSD11B1 (0.41) LMNAHSD11B1CHRM1TPSAB1HTT
SCHEMBL770936 0.77 EPHX1 (0.51) KDM4EEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KDM4E 4127/4885FPR3 4155/4885FPR2 4020/4885

“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.