SCHEMBL19798445

SCHEMBL19798445

O=S(=O)(NCCCOC12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 5/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXA2R P21731 2/20 0.45
EPHX2 P34913 1/20 0.42
HTR7 P34969 1/20 0.42
GBA1 P04062 1/20 0.42

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
SCHEMBL20724739 0.87 MAPK1 (0.48) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19807165 0.87 MAPK1 (0.48) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19798448 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19798465 0.78 ALDH1A1 (0.55) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19798441 0.76 EPHX2 (0.49) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19798442 0.75 SMN1; SMN2 (0.44) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19808245 0.74 P2RX7 (0.53) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL12640167 0.74 ALDH1A1 (0.82) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL12672465 0.74 ALDH1A1 (0.82) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL19808494 0.73 SMN1; SMN2 (0.43) MAPK1ALDH1A1SMN1; SMN2LMNAKDM4E

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 MAPK1 2736/4885ALDH1A1 2128/4885SMN1; SMN2 3655/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 MAPK1 2736/4885ALDH1A1 2128/4885SMN1; SMN2 3655/4885

“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.