SCHEMBL21153753

SCHEMBL21153753

CCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.76
S1PR3 Q99500 1/20 0.76
ACACB O00763 3/20 0.63
ACACA Q13085 2/20 0.63
NPC1 O15118 8/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 4/20 0.58
HTT P42858 1/20 0.58
LTA4H P09960 1/20 0.54
TP53 P04637 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
CXCR1 P25024 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 3/20 0.48

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
SCHEMBL35210439 0.94 S1PR1 (0.67) S1PR1S1PR3ACACBACACANPC1
SCHEMBL35210453 0.89 NPC1 (0.64) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13417242 0.86 S1PR1 (1.00) S1PR1S1PR3ACACBACACANPC1
SCHEMBL21153222 0.85 S1PR1 (0.55) S1PR1S1PR3ACACBACACANPC1
SCHEMBL19968728 0.84 S1PR1 (0.69) S1PR1S1PR3ACACBACACANPC1
SCHEMBL35210441 0.83 S1PR1 (0.53) S1PR1S1PR3ACACBACACANPC1
SCHEMBL13926721 0.82 S1PR1 (0.69) S1PR1S1PR3ACACBACACANPC1
SCHEMBL3057134 0.81 RAB9A (0.74) S1PR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7294501 0.80 ACACB (0.69) S1PR1S1PR3ACACBACACANPC1
SCHEMBL35210430 0.80 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125371-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION UNIVERSITY OF NOTRE DAME DU LAC (US) 2026-05-07 US disclosed
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 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 (5 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-20260125371-A1 METHOD FOR INHIBITING CLOSTRIDIOIDES DIFFICILE SPORE GERMINATION CYP8B1, SPOUT1, O60361 S1PR1 3111/4885S1PR3 2606/4885ACACB 827/4885
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885ACACB 2585/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885ACACB 2585/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885ACACB 2585/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 S1PR1 3916/4885S1PR3 4424/4885ACACB 2585/4885

“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.