SCHEMBL2072069

SCHEMBL2072069

O=S(=O)(Cc1nnco1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
PSIP1 O75475 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
QPCT Q16769 1/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11891750 0.71 CES1 (0.48) KMT2AMAPTSMN1; SMN2CYP2D6CYP2C9
SCHEMBL2069438 0.71 NPC1 (0.65) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL6422360 0.71 TSHR (0.43) NPC1RAB9ATDP1MAPTPSIP1
SCHEMBL10108701 0.69 NPC1 (0.55) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL2070814 0.68 NPC1 (0.53) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL2069511 0.68 NPC1 (0.57) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL2069975 0.67 CYP2D6 (0.53) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL18462192 0.67 CES1 (0.50) NPC1RAB9AMAPTSMN1; SMN2CYP2D6
SCHEMBL2069593 0.67 NPC1 (0.56) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL2069838 0.67 NPC1 (0.52) NPC1RAB9ATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668881-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3668512-B1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS INC (US) 2023-02-15 EP disclosed
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 US disclosed
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 EP disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215577-A1 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. 2005-09-29 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 (4 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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 NPC1 92/4885RAB9A 3611/4885TDP1 3388/4885
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF PDK1, PDK2, PDK4 NPC1 3125/4885RAB9A 3629/4885TDP1 1491/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 NPC1 92/4885RAB9A 3611/4885TDP1 3388/4885
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 NPC1 1348/4885RAB9A 3006/4885TDP1 800/4885

“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.