SCHEMBL14478808

SCHEMBL14478808

CCOC(=O)c1c(N)sc2c1CCC(CC)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 1.00
▸ MAPT P10636 11/20 1.00
▸ HPGD P15428 8/20 1.00
▸ GAA P10253 6/20 1.00
▸ KDM4E B2RXH2 4/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ ALOX15 P16050 2/20 0.75
▸ TSHR P16473 1/20 0.75
▸ ALOX12 P18054 1/20 0.75
▸ MAPK1 P28482 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ ADORA1 P30542 3/20 0.58
▸ THRB P10828 2/20 0.57
▸ LMNA P02545 2/20 0.54
▸ BLM P54132 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL2306052 0.89 MAPT (0.80) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL3987732 0.88 ALDH1A1 (0.78) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL21247239 0.86 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL2949670 0.86 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL18135595 0.85 MAPT (0.74) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL22402136 0.85 MAPT (0.75) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL3986628 0.84 MAPT (0.72) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL17189283 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL1067537 0.84 ALDH1A1 (0.80) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL5629040 0.84 MAPT (0.73) ALDH1A1MAPTHPGDGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501807-A Tetrahydrobenzothiophene compound, and preparation method and application of pharmaceutical composition 重庆科技学院 2021-10-15 — — CN disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — 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 (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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N ALDH1A1 1188/4885MAPT 1707/4885HPGD 92/4885

“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.

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