SCHEMBL14318318

SCHEMBL14318318

Cc1ccc(S(=O)(=O)OC[C@@H](C)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.52
▸ DHODH Q02127 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ F2 P00734 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ XBP1 P17861 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RPS6KA2 Q15349 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL28367938 0.86 KMT2A (0.57) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL4582326 0.84 VDR (0.49) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL4114031 0.81 VDR (0.55) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL11020136 0.81 VDR (0.55) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL10639438 0.81 VDR (0.55) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL594242 0.81 VDR (0.55) VDRDHODHALDH1A1KDM4EKMT2A
SCHEMBL2176311 0.80 GAA (0.45) VDRDHODHALDH1A1KMT2ALMNA
SCHEMBL3694647 0.78 HPGD (0.60) VDRALDH1A1KDM4EKMT2AHPGD
SCHEMBL30225654 0.78 HPGD (0.60) VDRALDH1A1KDM4EKMT2AHPGD
SCHEMBL31004989 0.76 MMP2 (0.53) VDRALDH1A1KMT2AHPGDMMP2

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-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 — — US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 — — US disclosed
WO-2012173689-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2012-12-20 — — 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT VDR 1542/4885DHODH 516/4885ALDH1A1 1117/4885

“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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