SCHEMBL13941966

SCHEMBL13941966

Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H]2c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
GAA P10253 3/20 0.51
TSHR P16473 3/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MMP2 P08253 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
FKBP1A P62942 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL13941964 1.00 NPSR1 (0.62) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL17881909 0.86 NPSR1 (0.61) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL6177053 0.85 NPSR1 (0.63) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL6177061 0.85 NPSR1 (0.63) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL6177055 0.85 NPSR1 (0.63) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL29278809 0.80 NPSR1 (0.68) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL7067376 0.79 NPSR1 (0.59) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL7067369 0.79 NPSR1 (0.59) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL7066899 0.79 NPSR1 (0.59) NPSR1GAATSHRMAPTALDH1A1
SCHEMBL7067373 0.79 NPSR1 (0.59) NPSR1GAATSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478438-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2022-10-25 US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
EP-3224245-B1 NECROSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2018-09-12 EP disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 US disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 WO disclosed
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-01-08 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 (6 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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 NPSR1 2141/4885GAA 2668/4885TSHR 1927/4885
US-11478438-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 NPSR1 1633/4885GAA 3062/4885TSHR 2122/4885
US-20090012120-A1 Synthesis of N-heterocycles, beta-amino acids, and allyl amines via aza-payne mediated reaction of ylides and hydroxy aziridines TET1, TET3, TET2 NPSR1 1332/4885GAA 2816/4885TSHR 2408/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 NPSR1 1633/4885GAA 3062/4885TSHR 2122/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 NPSR1 2141/4885GAA 2668/4885TSHR 1927/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 NPSR1 1633/4885GAA 3062/4885TSHR 2122/4885

“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.