SCHEMBL20164792

SCHEMBL20164792

O=S(=O)(O)c1ccc(CCCCC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 2/20 0.44
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NT5E P21589 1/20 0.38
FAAH O00519 1/20 0.37
CA1 P00915 3/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL776683 0.95 LMNA (0.45) CA2LMNAMGLLPTPN2PTPN1
SCHEMBL778771 0.87 LMNA (0.43) CA2LMNAESR1ESR2SMN1; SMN2
SCHEMBL2484124 0.87 CA2 (0.44) CA2LMNAMGLLPTPN2PTPN1
SCHEMBL30446884 0.85 CA2 (0.57) CA2LMNAMGLLSMN1; SMN2TSHR
SCHEMBL4333544 0.80 CA2 (0.49) CA2LMNAMGLLSMN1; SMN2TSHR
SCHEMBL775809 0.78 CA2 (0.47) CA2LMNAMGLLSMN1; SMN2TSHR
SCHEMBL21111342 0.78 SMN1; SMN2 (0.58) CA2SMN1; SMN2TSHRALDH1A1CYP2D6
SCHEMBL1806460 0.78 CA2 (0.70) CA2LMNAMGLLSMN1; SMN2TSHR
SCHEMBL1806457 0.78 CA2 (0.50) CA2LMNAMGLLSMN1; SMN2TSHR
SCHEMBL13303200 0.78 CA2 (0.43) CA2LMNAMGLLPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141915-A1 METHOD FOR PREPARING IMIDAZOLE DERIVATIVE AND INTERMEDIATE THEREOF AND CRYSTAL FORM SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 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-20180141915-A1 METHOD FOR PREPARING IMIDAZOLE DERIVATIVE AND INTERMEDIATE THEREOF AND CRYSTAL FORM CYP4B1, CYP2F1, CYP51A1 CA2 4573/4885LMNA 921/4885MGLL 887/4885

“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.