SCHEMBL23915526

SCHEMBL23915526

COC(C(=O)O)c1nn(COCCS(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.46
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
P2RX4 Q99571 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
F2RL3 Q96RI0 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL23914840 0.91 S1PR2 (0.38) S1PR2HSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23908966 0.88 S1PR2 (0.46) S1PR2HSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23914657 0.84 SMN1; SMN2 (0.36) S1PR2SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL23914661 0.83 S1PR2 (0.37) S1PR2SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL23914490 0.80 MAPT (0.44) S1PR2HSD17B10KMT2AGLAPTGDR2
SCHEMBL23914841 0.78 NPC1 (0.42) S1PR2HSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23914498 0.78 KDM4E (0.41) S1PR2HSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23914832 0.78 ALDH1A1 (0.36) HSD17B10SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL23914597 0.77 ALDH1A1 (0.35) HSD17B10SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL23914489 0.76 SLC16A3 (0.33) HSD17B10SMN1; SMN2ALDH1A1KDM4ELMNA

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885HSD17B10 2447/4885SMN1; SMN2 2920/4885

“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.