Sugi Predict

Sugi Predict / Compounds / SCHEMBL16819652

SCHEMBL16819652

SCHEMBL16819652

C[C@@H](CC(C)(C)c1ccccc1)C(=O)CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ GRIN2D O15399 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN2C Q14957 2/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL16819681 0.85 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL16819653 0.85 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL16819649 0.84 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL16819672 0.81 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL16819677 0.79 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19HIF1APTPN1
SCHEMBL187685 0.76 CYP2C19 (0.46) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL9041162 0.76 LAP3 (0.51) CYP1A2KMT2AMEN1ALDH1A1
SCHEMBL28115263 0.76 LAP3 (0.51) CYP1A2KMT2AMEN1ALDH1A1
SCHEMBL23812468 0.74 CYP2C19 (0.41) CYP1A2CYP2D6CYP2C19HIF1ATAAR1
SCHEMBL11588039 0.74 CYP2C19 (0.41) CYP1A2CYP2D6CYP2C19HIF1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092722-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2019-03-28 — — US disclosed
US-9180116-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2015-11-10 — — US disclosed
US-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2015-06-25 — — 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-20150175538-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 CYP1A2 1594/4885CYP2D6 565/4885CYP2C19 859/4885
US-20190092722-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 CYP1A2 1594/4885CYP2D6 565/4885CYP2C19 859/4885

“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.