SCHEMBL3758581

SCHEMBL3758581

CN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3/SC(=O)NC3=O)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
ESRRA P11474 4/20 0.44
PTPN1 P18031 3/20 0.43
PIM1 P11309 3/20 0.43
PIM2 Q9P1W9 3/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
IGF1R P08069 1/20 0.43
PIM3 Q86V86 2/20 0.42
PDE4B Q07343 1/20 0.42
AKR1B1 P15121 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41

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
SCHEMBL3758583 1.00 HPGD (0.46) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL3756438 0.93 ADAMTS5 (0.47) PIM1PIM2LMNAKMT2APIM3
SCHEMBL12997318 0.93 ADAMTS5 (0.47) PIM1PIM2LMNAKMT2APIM3
SCHEMBL3756435 0.93 ADAMTS5 (0.47) PIM1PIM2LMNAKMT2APIM3
SCHEMBL3762303 0.90 ESRRA (0.45) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL3762308 0.90 ESRRA (0.45) HPGDESRRAPTPN1PIM1PIM2
SCHEMBL3754090 0.90 HPGD (0.50) HPGDMGAMGAASIMGAM2
SCHEMBL3754087 0.90 HPGD (0.50) HPGDMGAMGAASIMGAM2
SCHEMBL3758497 0.90 ESRRA (0.58) HPGDESRRAPIM1PIM2KMT2A
SCHEMBL3758500 0.90 ESRRA (0.58) HPGDESRRAPIM1PIM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US claimed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 HPGD 228/4885ESRRA 3987/4885PTPN1 2502/4885

“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.