SCHEMBL7828058

SCHEMBL7828058

CCOc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.47
HPD P32754 6/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HCRTR1 O43613 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MRGPRX4 Q96LA9 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
SCHEMBL10908860 0.89 POLB (0.47) GLAL3MBTL1TSHRMAPTLMNA
SCHEMBL15623075 0.88 KMT2A (0.46) TSHRHPDMEN1KMT2AALDH1A1
SCHEMBL16961343 0.88 HPD (0.45) GLAL3MBTL1MAPTLMNAHPD
SCHEMBL23294948 0.87 TSHR (0.51) GLAL3MBTL1TSHRMAPTHPD
SCHEMBL26401575 0.87 ALDH1A1 (0.51) GLAL3MBTL1MAPTLMNAHTT
SCHEMBL29588719 0.87 TSHR (0.51) GLAL3MBTL1TSHRMAPTHPD
SCHEMBL18989532 0.85 ALDH1A1 (0.53) GLAL3MBTL1TSHRMAPTLMNA
SCHEMBL3931562 0.84 MEN1 (0.55) MAPTLMNAMEN1KMT2A
SCHEMBL5324174 0.84 HPGD (0.50) TSHRHPDKMT2AALDH1A1
SCHEMBL16954013 0.84 ALDH1A1 (0.42) GLAL3MBTL1MAPTLMNAHPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509460-B2 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2025-12-30 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
EP-4055018-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-09-14 EP disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO 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 (5 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-12509460-B2 Methods and compositions for modulating splicing SF3B1, RTCB, RBM17 GLA 4236/4885L3MBTL1 384/4885TSHR 1548/4885
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 GLA 2021/4885L3MBTL1 3373/4885TSHR 4083/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 GLA 2021/4885L3MBTL1 3373/4885TSHR 4083/4885
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 GLA 4247/4885L3MBTL1 4848/4885TSHR 4454/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 GLA 4247/4885L3MBTL1 4848/4885TSHR 4454/4885

“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.