Sugi Predict

Sugi Predict / Compounds / SCHEMBL2643678

SCHEMBL2643678

SCHEMBL2643678

COC(=O)c1ccc(NC(=O)CSC2C(C)=C(C)C(=O)N2Cc2ccc(OC(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 3/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL2642709 0.91 MAPT (0.42) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2660303 0.86 WNT3A (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2644224 0.85 KMT2A (0.41) CACNA1HCACNA1GCACNA1IMEN1KMT2A
SCHEMBL2644216 0.84 TSHR (0.41) CACNA1HCACNA1GCACNA1IMEN1KMT2A
SCHEMBL2659556 0.83 MAPK10 (0.42) CACNA1HMEN1KMT2AALDH1A1LMNA
SCHEMBL2643421 0.83 VNN1 (0.43) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL9071257 0.81 HCRTR1 (0.37) HCRTR1HCRTR2CYP11B2
SCHEMBL2643472 0.81 RAB9A (0.45) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2643492 0.80 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2643567 0.80 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAKDM4E

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-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 — — US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 — — US disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 — — US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 — — US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 — — US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 — — 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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK CACNA1H 3584/4885CACNA1G 3427/4885CACNA1I 3241/4885

“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.