SCHEMBL6231237

SCHEMBL6231237

O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.65
S1PR1 P21453 2/20 0.65
FUCA1 P04066 2/20 0.59
RORC P51449 1/20 0.54
ALDH1A1 P00352 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
GRIN2B Q13224 1/20 0.51
GBA1 P04062 1/20 0.50

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
SCHEMBL1188233 1.00 S1PR5 (0.65) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL1188230 1.00 S1PR5 (0.65) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL6231248 1.00 S1PR5 (0.65) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL29955331 0.92 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL1891761 0.90 S1PR5 (0.58) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL4522412 0.90 FUCA1 (0.67) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL23297889 0.88 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL1893897 0.88 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL22435919 0.88 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCALDH1A1
SCHEMBL874162 0.88 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 US disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 WO 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-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 S1PR5 634/4885S1PR1 418/4885FUCA1 2832/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 S1PR5 595/4885S1PR1 393/4885FUCA1 2984/4885

“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.