Sugi Predict

Sugi Predict / Compounds / SCHEMBL20142638

SCHEMBL20142638

SCHEMBL20142638

CCOC(=O)CC(N[S+]([O-])C(C)(C)C)c1cnc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ PRNP P04156 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ TOP2A P11388 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL29511472 0.84 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL22798398 0.84 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL21284312 0.84 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL20154296 0.84 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL30594184 0.84 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL31362647 0.83 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP1A2KMT2A
SCHEMBL18640937 0.83 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP1A2KMT2A
SCHEMBL20154316 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL25235485 0.79 KCNB1 (0.34) ALDH1A1KDM4ECYP1A2CYP2C9NPC1
SCHEMBL4196483 0.79 CXCR1 (0.35) CYP1A2CYP2C9KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 — — US disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 — — US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 — — EP disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 — — EP disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 — — US disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 — — US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 — — EP disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 — — EP disclosed
EP-3707142-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-16 — — EP disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 — — US disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 — — US disclosed
EP-3538528-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 — — EP disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — WO disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — WO 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 (4 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ALDH1A1 919/4885SMN1; SMN2 3658/4885KDM4E 528/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 ALDH1A1 744/4885SMN1; SMN2 3970/4885KDM4E 1755/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 ALDH1A1 364/4885SMN1; SMN2 3967/4885KDM4E 1937/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 ALDH1A1 919/4885SMN1; SMN2 3658/4885KDM4E 528/4885

“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.