SCHEMBL18824272

SCHEMBL18824272

O=C(c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNFSF11 O14788 3/20 0.53
▸ TNF P01375 3/20 0.53
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ TSHR P16473 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL20424520 0.82 ALOX5 (0.50) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL19194701 0.80 LMNA (0.71) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL17422835 0.77 KMT2A (0.73) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL21274665 0.76 AKR1C3 (0.56) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL16796519 0.75 HTR6 (0.55) TNFSF11TNFTSHRRECQLSMN1; SMN2
SCHEMBL946508 0.74 TNFSF11 (0.67) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL6278833 0.73 TNFSF11 (0.63) TNFSF11TNFAKR1C3AKR1C1LMNA
SCHEMBL21805760 0.72 AKR1C3 (0.49) AKR1C3AKR1C1TSHRLMNASMN1; SMN2
SCHEMBL19971360 0.72 AKR1C3 (0.56) TNFAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL18824196 0.71 TNFSF11 (0.53) TNFSF11TNFAKR1C3AKR1C1LMNA

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-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
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 TNFSF11 4476/4885TNF 1138/4885AKR1C3 515/4885

“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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