SCHEMBL34468566

SCHEMBL34468566

CCOC(=O)c1c(NC(=O)COC(=O)c2ccccn2)sc(C)c1C

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.69
▸ POLB P06746 4/20 0.69
▸ KDM4E B2RXH2 3/20 0.61
▸ TSHR P16473 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HPGD P15428 4/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ RAD52 P43351 1/20 0.55
▸ TP53 P04637 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL34468619 0.85 ALDH1A1 (0.69) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL34468614 0.83 ALDH1A1 (0.79) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL34468564 0.82 ALDH1A1 (0.96) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL34468616 0.81 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL8288732 0.81 POLB (0.78) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL34468610 0.79 TP53 (0.67) ALDH1A1POLBKDM4ETSHRLMNA
SCHEMBL34468527 0.76 ALDH1A1 (0.65) ALDH1A1POLBKDM4ETSHRMAPT
Ethyl Picolinate SCHEMBL126181 0.76 CYP1A2 (0.65) ALDH1A1POLBKDM4ETSHRLMNA
Ethyl Picolinate SCHEMBL30016787 0.76 CYP1A2 (0.65) ALDH1A1POLBKDM4ETSHRLMNA
Ethyl Picolinate SCHEMBL8661716 0.76 CYP1A2 (0.65) ALDH1A1POLBKDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116872-A1 THIOPHENE BASED APYRASE INHIBITORS TEXAS CROP SCIENCE INC (US) 2026-04-30 — — US claimed
US-20260116872-A1 THIOPHENE BASED APYRASE INHIBITORS TEXAS CROP SCIENCE INC (US) 2026-04-30 — — 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-20260116872-A1 THIOPHENE BASED APYRASE INHIBITORS SRR, APEH, OSR1 ALDH1A1 2701/4885POLB 4075/4885KDM4E 2405/4885

“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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