SCHEMBL22015784

SCHEMBL22015784

NCCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
PAX8 Q06710 1/20 0.47
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 4/20 0.44
CA2 P00918 3/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SOS1 Q07889 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL31235494 0.98 KMT2A (0.46) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL18225990 0.88 ALDH1A1 (0.48) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL15013716 0.82 ALDH1A1 (0.56) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL10702964 0.80 GAA (0.59) KMT2AALDH1A1CA2CYP3A4CYP2C9
SCHEMBL7033085 0.78 CA2 (0.64) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL1148799 0.78 KMT2A (0.47) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL1939594 0.78 NPC1 (0.55) KMT2AHSD11B1ALDH1A1CA2PSEN1
SCHEMBL13586189 0.78 PLCG1 (0.61) KMT2AHSD11B1ALDH1A1CA2F2
SCHEMBL1368369 0.78 L3MBTL1 (0.53) KMT2APAX8HSD11B1ALDH1A1CA2
SCHEMBL6752574 0.78 CA2 (0.59) KMT2APAX8ALDH1A1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114551793-B Lithium-based composite negative plate with long cycle life, preparation method thereof and solid lithium battery 万向一二三股份公司 2023-10-03 CN claimed
CN-114551793-A Lithium-based composite negative plate with long cycle life, preparation method thereof and solid lithium battery 万向一二三股份公司 2022-05-27 CN claimed
CN-114551793-B Lithium-based composite negative plate with long cycle life, preparation method thereof and solid lithium battery 万向一二三股份公司 2023-10-03 CN disclosed
CN-114551793-A Lithium-based composite negative plate with long cycle life, preparation method thereof and solid lithium battery 万向一二三股份公司 2022-05-27 CN disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020231713-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-19 WO disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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 (1 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 KMT2A 2212/4885PAX8 4652/4885HSD11B1 897/4885

“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.