SCHEMBL25586072

SCHEMBL25586072

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CN(CC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CCN)NC2=O)[C@@H](C)O)C(=O)CCOCCOCCOCCN2C(=O)CC(C(C)C)C2=O)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.68
▸ RCOR1 Q9UKL0 2/20 0.68
▸ KEAP1 Q14145 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ TERF2 Q15554 3/20 0.37
▸ F11 P03951 1/20 0.37
▸ TERF2IP Q9NYB0 3/20 0.37
▸ FCGRT P55899 2/20 0.37
▸ SSTR2 P30874 2/20 0.37
▸ SSTR4 P31391 2/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ MDM2 Q00987 1/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ KCNA1 Q09470 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.34

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
SCHEMBL25622799 0.93 KDM1A (0.72) KDM1ARCOR1KEAP1NFE2L2TERF2
SCHEMBL25623302 0.82 KDM1A (0.65) KDM1ARCOR1TERF2IPSSTR2SSTR4
SCHEMBL21504244 0.82 KDM1A (0.88) KDM1ARCOR1TERF2F11TERF2IP
SCHEMBL21474043 0.82 KDM1A (0.88) KDM1ARCOR1TERF2F11TERF2IP
SCHEMBL25623330 0.82 KDM1A (0.64) KDM1ARCOR1F11TERF2IPSSTR2
Polymyxin B2 SCHEMBL534885 0.81 KDM1A (1.00) KDM1ARCOR1TERF2F11TERF2IP
Polymyxin B2 SCHEMBL15887064 0.81 KDM1A (1.00) KDM1ARCOR1TERF2F11TERF2IP
SCHEMBL16426297 0.81 KDM1A (0.88) KDM1ARCOR1KEAP1TERF2TERF2IP
SCHEMBL21335145 0.81 KDM1A (0.88) KDM1ARCOR1KEAP1TERF2TERF2IP
Desfa-[Dab1]Polymyxin B SCHEMBL29354296 0.81 KDM1A (0.86) KDM1ARCOR1KEAP1TERF2F11

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-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 — — 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-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A KDM1A 4789/4885RCOR1 4863/4885KEAP1 4033/4885

“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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