SCHEMBL19798650

SCHEMBL19798650

CC(C)(C)C1C2CC3CC1CC(NS(=O)(=O)Cc1ccccc1)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 2/20 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
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
STS P08842 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL19798459 0.84 EPHX2 (0.50) EPHX2MAPK1HSD11B1CA1CA2
SCHEMBL19808246 0.82 P2RX7 (0.42) EPHX2HSD11B1CA1CA2MMP1
SCHEMBL19808244 0.81 HSD11B1 (0.40) EPHX2HSD11B1NPC1RAB9AALDH1A1
SCHEMBL22656764 0.81 CA1 (0.50) EPHX2MAPK1CA1CA2MMP1
SCHEMBL19808587 0.81 LMNA (0.51) EPHX2MAPK1HSD11B1NPC1RAB9A
SCHEMBL19808235 0.80 CA12 (0.35) CA2ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL20724759 0.79 EPHX2 (0.39) EPHX2HSD11B1CA2NPC1RAB9A
SCHEMBL20724768 0.77 EPHX2 (0.40) EPHX2HSD11B1NPC1RAB9AALDH1A1
SCHEMBL19808243 0.77 EPHX2 (0.40) EPHX2HSD11B1NPC1RAB9AALDH1A1
SCHEMBL19808236 0.77 HSD11B1 (0.34) EPHX2HSD11B1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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 (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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 EPHX2 1124/4885MAPK1 2736/4885HSD11B1 196/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX2 1124/4885MAPK1 2736/4885HSD11B1 196/4885

“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.