SCHEMBL758088

SCHEMBL758088

Cc1ccc([S@+](N)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TEAD4 Q15561 1/20 0.32
AGXT P21549 1/20 0.32

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
SCHEMBL358582 1.00 ACHE (0.44) ACHETDP1CA1CA2CA7
SCHEMBL1645074 1.00 ACHE (0.44) ACHETDP1CA1CA2CA7
SCHEMBL22106133 0.78 PARP10 (0.54) ALDH1A1AGXT
SCHEMBL563967 0.77 ACHE (0.50) ACHETDP1CA1CA2CA7
SCHEMBL235851 0.77 ACHE (0.50) ACHETDP1CA1CA2CA7
SCHEMBL4401131 0.77 ACHE (0.50) ACHETDP1CA1CA2CA7
SCHEMBL12903527 0.74 MEN1 (0.47) ACHETDP1CA1CA2CA7
SCHEMBL254471 0.74 ACHE (0.47) ACHETDP1CA1CA2CA7
SCHEMBL280535 0.74 ACHE (0.47) ACHETDP1CA1CA2CA7
SCHEMBL1094237 0.74 ACHE (0.47) ACHETDP1CA1CA2CA7

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108963389-A It is a kind of for lithium-air battery can gelling system and its preparation method and application 北京师范大学 2018-12-07 CN claimed
US-12606572-B2 Substituted heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2026-04-21 US disclosed
EP-4724445-A1 SUBSTITUTED HETEROCYCLES AND USES THEREOF Kumquat Biosciences Inc. (US) 2026-04-15 EP disclosed
WO-2026041636-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2026-02-26 WO disclosed
EP-4615823-A2 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE Revolution Medicines, Inc. (US) 2025-09-17 EP disclosed
US-20250269037-A1 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-08-28 US disclosed
US-12252497-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2025-03-18 US disclosed
US-20250074923-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-03-06 US disclosed
US-12202845-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2025-01-21 US disclosed
WO-2024254334-A1 SUBSTITUTED HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2024-12-12 WO disclosed
CN-101356161-A Heterocyclic CETP inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-28 CN disclosed
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
CN-101263156-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC (US) 2008-09-10 CN disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
EP-1951690-A1 HETEROCYCLIC CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 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 (8 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-12606572-B2 Substituted heterocycles and uses thereof KRAS, HRAS, MYC ACHE 4842/4885TDP1 3835/4885CA1 1967/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ACHE 3249/4885TDP1 610/4885CA1 4507/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ACHE 3249/4885TDP1 610/4885CA1 4507/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ACHE 4019/4885TDP1 4489/4885CA1 4665/4885
US-20250074923-A1 RAS INHIBITORS KRAS, NRAS, HRAS ACHE 4585/4885TDP1 4264/4885CA1 4678/4885
US-12252497-B2 Ras inhibitors KRAS, NRAS, HRAS ACHE 4585/4885TDP1 4264/4885CA1 4678/4885
US-20250269037-A1 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE PAICS, ORC3, SSB ACHE 157/4885TDP1 3916/4885CA1 368/4885
US-12202845-B2 Ras inhibitors KRAS, NRAS, HRAS ACHE 4585/4885TDP1 4264/4885CA1 4678/4885

“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.