SCHEMBL566630

SCHEMBL566630

O=C1CCc2cc(F)ccc2S1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
SRD5A1 P18405 6/20 0.38
NOTUM Q6P988 2/20 0.33
ACHE P22303 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDM1A O60341 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
SCHEMBL3765440 0.82 PARP1 (0.37) PARP1PARP10SRD5A1NOTUMACHE
SCHEMBL8561388 0.77 PARP10 (0.43) PARP1PARP10SRD5A1
SCHEMBL28705640 0.77 ALDH1A1 (0.45) CYP19A1
SCHEMBL51879 0.77 HPGD (0.45) PARP1PARP10SRD5A1NOTUM
SCHEMBL11520308 0.77 PARP10 (0.43) PARP1PARP10SRD5A1NOTUMACHE
SCHEMBL9024306 0.73 TYMS (0.35)
SCHEMBL29756225 0.73 NOX1 (0.38) PARP1PARP10NOTUMGPR84CYP19A1
SCHEMBL11007944 0.72 PARP1 (0.33) PARP1PARP10CYP19A1CYP11B1CYP11B2
SCHEMBL11761546 0.72 HTR7 (0.43) KDM1A
SCHEMBL29836089 0.71 ALDH1A1 (0.47) PARP1PARP10ACHE

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
CN-110862401-B Method for preparing spiro indole derivative by basic ionic liquid one-pot method 马鞍山市泰博化工科技有限公司 2021-05-14 CN claimed
CN-110862401-A Method for preparing spiro indole derivative by basic ionic liquid one-pot method 马鞍山市泰博化工科技有限公司 2020-03-06 CN claimed
CN-110862401-B Method for preparing spiro indole derivative by basic ionic liquid one-pot method 马鞍山市泰博化工科技有限公司 2021-05-14 CN disclosed
CN-110862401-A Method for preparing spiro indole derivative by basic ionic liquid one-pot method 马鞍山市泰博化工科技有限公司 2020-03-06 CN disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US disclosed
CN-101565424-A 6H-thiochromene [4, 3-d][1, 2, 4] triazole [1, 5-a] pyrimidine class compound with anti-inflammatory and antifungal activities GENGLIANG YANG (CN) 2009-10-28 CN disclosed
CN-101565425-A 6H-thiochromene [3, 4-e] [1, 2, 4] triazole [1, 5-a] pyrimidine compound with anti-inflammatory and anti-fungal activity GENGLIANG YANG (CN) 2009-10-28 CN disclosed
CN-101469001-A 6H-thiochromeno[4,3-d] [1,2,4] triazole [4,3-a] pyridine compound with antiphlogistic activity and antifungal activity GENGLIANG YANG (CN) 2009-07-01 CN disclosed
CN-101353351-A Novel 2,3,3a,4-tetrahydro thiochromeno [4,3-c] pyrazole antiinflammatory antimycotic compound GENGLIANG YANG (CN) 2009-01-28 CN 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 (2 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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST PARP1 4535/4885PARP10 4230/4885SRD5A1 52/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC PARP1 2453/4885PARP10 3668/4885SRD5A1 2683/4885

“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.