SCHEMBL22100101

SCHEMBL22100101

CCCOc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(NC(=O)C(C)Oc4ccc(C#N)cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL20764489 0.93 MEN1 (0.41) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL20764488 0.93 MEN1 (0.41) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL22100102 0.89 MAPT (0.34) RXFP1KMT2AMAPTTP53RAB9A
SCHEMBL22099982 0.89 NR1H4 (0.44) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL22099918 0.89 NAMPT (0.37) —
SCHEMBL22099914 0.89 RORC (0.38) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL20764589 0.89 MMP2 (0.35) RXFP1MEN1KMT2A
SCHEMBL20764587 0.89 MMP2 (0.35) RXFP1MEN1KMT2A
SCHEMBL22099929 0.88 P4HTM (0.36) RXFP1MAPTTP53RAB9AKDM4E
SCHEMBL20764527 0.87 NR1H4 (0.38) KMT2AMAPTPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — 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 (2 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 RXFP1 896/4885MEN1 2023/4885KMT2A 2115/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 RXFP1 1126/4885MEN1 2097/4885KMT2A 2307/4885

“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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