Sugi Predict

Sugi Predict / Compounds / SCHEMBL14226788

SCHEMBL14226788

SCHEMBL14226788

CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)c2ccnc(-c3ccccc3)c2)[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 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.66
▸ RCOR1 Q9UKL0 2/20 0.66
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.39
▸ JAK1 P23458 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ SSTR5 P35346 4/20 0.37
▸ NPY1R P25929 2/20 0.37
▸ NPY2R P49146 2/20 0.37
▸ NPY4R P50391 2/20 0.37
▸ NPY5R Q15761 2/20 0.37
▸ SSTR2 P30874 2/20 0.37
▸ SSTR4 P31391 2/20 0.37
▸ TERF2IP Q9NYB0 4/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ F11 P03951 1/20 0.36

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
SCHEMBL14240738 1.00 KDM1A (0.66) KDM1ARCOR1EGFRLCKHKDC1
SCHEMBL14240742 0.95 KDM1A (0.62) KDM1ARCOR1EGFRLCKHKDC1
SCHEMBL14240739 0.95 KDM1A (0.59) KDM1ARCOR1EGFRLCKHKDC1
SCHEMBL14240945 0.94 KDM1A (0.74) KDM1ARCOR1EGFRLCKSSTR5
SCHEMBL14226791 0.94 KDM1A (0.74) KDM1ARCOR1EGFRLCKSSTR5
SCHEMBL14241144 0.90 KDM1A (0.61) KDM1ARCOR1EGFRLCKHKDC1
SCHEMBL14240943 0.90 KDM1A (0.69) KDM1ARCOR1EGFRLCKSSTR5
SCHEMBL14241078 0.90 KDM1A (0.69) KDM1ARCOR1EGFRLCKSSTR5
SCHEMBL14241072 0.89 KDM1A (0.66) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL14240745 0.89 KDM1A (0.66) KDM1ARCOR1SSTR5SSTR2SSTR4

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
WO-2012168820-A1 POLYMYXIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-12-13 — — WO disclosed
US-20120316105-A1 Polymyxin Derivates Useful As Antibacterial Agents PFIZER INC. 2012-12-13 — — US disclosed
US-20120316105-A1 Polymyxin Derivates Useful As Antibacterial Agents PFIZER INC. 2012-12-13 — — 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-20120316105-A1 Polymyxin Derivates Useful As Antibacterial Agents NPEPPS, MDN1, PNKP KDM1A 3854/4885RCOR1 4836/4885EGFR 1035/4885

“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.