SCHEMBL29449286

SCHEMBL29449286

CCCCCCCCC1CCCCN1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 3/20 0.45
S1PR2 O95136 2/20 0.45
S1PR4 O95977 2/20 0.45
S1PR5 Q9H228 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 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
SCHEMBL7303522 1.00 S1PR1 (0.45) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL4655520 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL21943796 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR2S1PR4S1PR5
Hydrochloric Acid SCHEMBL29252863 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR2S1PR4S1PR5
Hydrochloric Acid SCHEMBL26090842 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL293993 0.98 HRH3 (0.45) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL28798039 0.94 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL21859515 0.94 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL10519072 0.94 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL11844177 0.94 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4S1PR5

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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 EP 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 S1PR1 2335/4885S1PR3 971/4885S1PR2 3299/4885

“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.