SCHEMBL20516515

SCHEMBL20516515

CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA2 P00918 7/20 0.45
▸ CA12 O43570 6/20 0.45
▸ CA1 P00915 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ TGM2 P21980 1/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ LGALS3 P17931 1/20 0.42

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
SCHEMBL20516500 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL14010318 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL20516521 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL4989193 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL10907275 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL10907272 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL25480933 1.00 CYP3A4 (0.58) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL22927900 0.99 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL20334499 0.99 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19MAPK1
SCHEMBL14010319 0.99 CYP3A4 (0.59) CYP3A4MAPTCYP2C9CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413299-B2 Compositions and methods for treatment of inflammatory disorders THE JOHNS HOPKINS UNIVERSITY (US) 2022-08-16 — — US disclosed
US-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2022-01-27 — — US disclosed
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-05-06 — — US disclosed
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders THE JOHN HOPKINS UNIVERSITY (US) 2020-06-02 — — US disclosed
EP-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 — — EP disclosed
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS National Tuberous Sclerosis Association, Inc. 2019-03-14 — — US disclosed
US-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS THE JOHNS HOPKINS UNIVERSITY 2018-10-04 — — 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 (6 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-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 CYP3A4 4028/4885MAPT 1669/4885CYP2C9 4727/4885
US-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA TLR4, TLR3, TLR2 CYP3A4 4381/4885MAPT 4227/4885CYP2C9 4866/4885
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 CYP3A4 4028/4885MAPT 1669/4885CYP2C9 4727/4885
US-11413299-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 CYP3A4 4028/4885MAPT 1669/4885CYP2C9 4727/4885
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 CYP3A4 4028/4885MAPT 1669/4885CYP2C9 4727/4885
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS TLR4, TLR3, TLR2 CYP3A4 4801/4885MAPT 1445/4885CYP2C9 4849/4885

“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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