Sugi Predict

Sugi Predict / Compounds / SCHEMBL5332801

SCHEMBL5332801

SCHEMBL5332801

COC[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.45
▸ ALOX5AP P20292 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL30681234 1.00 AKT1 (0.45) AKT1ALOX5APNOTUMBCHEKDM1A
SCHEMBL5332810 1.00 AKT1 (0.45) AKT1ALOX5APNOTUMBCHEKDM1A
SCHEMBL30681300 1.00 AKT1 (0.45) AKT1ALOX5APNOTUMBCHEKDM1A
SCHEMBL4385547 0.88 ALOX5AP (0.43) ALOX5APNOTUMBCHEKDM1ANAMPT
SCHEMBL4385549 0.88 ALOX5AP (0.43) ALOX5APNOTUMBCHEKDM1ANAMPT
SCHEMBL30681293 0.87 ALOX5AP (0.42) ALOX5APNOTUMBCHENAMPTALDH1A1
SCHEMBL30681381 0.86 DRD2 (0.47) ALOX5APNOTUMBCHEKDM1ANAMPT
SCHEMBL29571640 0.86 DRD2 (0.47) ALOX5APNOTUMBCHEKDM1ANAMPT
SCHEMBL1760601 0.86 DRD2 (0.47) ALOX5APNOTUMBCHEKDM1ANAMPT
SCHEMBL3061256 0.86 DRD2 (0.47) ALOX5APNOTUMBCHEKDM1ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 — — US disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 — — US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 — — US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 — — US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 — — US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 — — 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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME TYMP, DPYD, TYMS AKT1 3200/4885ALOX5AP 603/4885NOTUM 3259/4885
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke CASP1, API5, CASP8 AKT1 1325/4885ALOX5AP 766/4885NOTUM 3496/4885

“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.