SCHEMBL18851606

SCHEMBL18851606

CS(=O)(=O)OCCOc1cc2[nH]c(-c3cc4ccc(Br)cc4[nH]3)cc2cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.36
▸ IDH1 O75874 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL18851607 0.83 S1PR4 (0.37) S1PR4IDH1SMN1; SMN2HPGDKDM4E
SCHEMBL18851095 0.82 ITK (0.37) S1PR4IDH1SMN1; SMN2HPGDKDM4E
SCHEMBL18851604 0.82 ITK (0.37) S1PR4SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL18851432 0.82 KDM4E (0.45) IDH1KDM4EALDH1A1LMNATDP1
SCHEMBL18851078 0.80 ACLY (0.35) NPC1RAB9A
SCHEMBL18851094 0.80 HPGD (0.34) S1PR4SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL18851434 0.79 KDM4E (0.41) S1PR4IDH1KDM4EALDH1A1LMNA
SCHEMBL18851162 0.78 PTGDR2 (0.44) SMN1; SMN2TDP1NPC1RAB9ATSHR
SCHEMBL18849023 0.78 AMY1A (0.42) IDH1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL18851251 0.78 LMNA (0.50) IDH1SMN1; SMN2HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — 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 (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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 S1PR4 2147/4885IDH1 3454/4885SMN1; SMN2 4665/4885

“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.

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