Sugi Predict

Sugi Predict / Compounds / SCHEMBL10070313

SCHEMBL10070313

SCHEMBL10070313

O=C(ON1C(=O)CCC1=O)c1ccc(S)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ PARL Q9H300 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL300884 0.91 CA12 (0.42) ALDH1A1HPGDCA12CA1CA9
SCHEMBL13455758 0.85 SMN1; SMN2 (0.44) ALDH1A1HPGDCA12CA1CA9
SCHEMBL5648489 0.84 CA12 (0.47) ALDH1A1HPGDCA12CA1CA9
SCHEMBL27717830 0.84 CA1 (0.55) ALDH1A1HPGDCA12CA1CA9
SCHEMBL1696262 0.82 KDM4E (0.42) ALDH1A1HPGDCA1KMT2AMGLL
SCHEMBL16005095 0.82 ALDH1A1 (0.37) ALDH1A1HPGDCA12CA1CA9
SCHEMBL12216547 0.82 LMNA (0.44) ALDH1A1HPGDCA12CA1CA9
SCHEMBL1800956 0.82 PTPRF (0.44) ALDH1A1HPGDCA1LMNASMN1; SMN2
SCHEMBL3565689 0.82 MAPT (0.42) ALDH1A1HPGDCA12CA1CA9
SCHEMBL159204 0.82 KDM4E (0.42) ALDH1A1HPGDCA1KMT2AMGLL

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-110672699-A All-solid-state field effect transistor, biosensor using same and detection method 天津师范大学 2020-01-10 — — CN claimed
CN-110672699-A All-solid-state field effect transistor, biosensor using same and detection method 天津师范大学 2020-01-10 — — CN disclosed
US-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-04-06 — — US disclosed
US-8093405-B2 Formation of 18F and 19F fluoroarenes bearing reactive functionalities UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2012-01-10 — — US disclosed
US-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-11-19 — — 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 (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-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF DDOST, SI, STT3A ALDH1A1 4861/4885HPGD 685/4885CA12 291/4885
US-20090286992-A1 FORMATION OF 18F AND 19F FLUOROARENES BEARING REACTIVE FUNCTIONALITIES RARB, RARG, RARA ALDH1A1 533/4885HPGD 3908/4885CA12 316/4885

“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.