SCHEMBL5119476

SCHEMBL5119476

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.52
S1PR1 P21453 3/20 0.52
FUCA1 P04066 2/20 0.47
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL19064205 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL19121611 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL8229357 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL585359 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL9112633 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL9112639 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL585358 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL6232439 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL585357 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL6232433 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400228-B1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2022-04-13 EP disclosed
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
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 US disclosed
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2018-08-28 US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 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 (7 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-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 S1PR5 4042/4885S1PR1 4600/4885FUCA1 2600/4885
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 S1PR5 4042/4885S1PR1 4600/4885FUCA1 2600/4885
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 S1PR5 634/4885S1PR1 418/4885FUCA1 2832/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 S1PR5 4042/4885S1PR1 4600/4885FUCA1 2600/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 S1PR5 3915/4885S1PR1 3760/4885FUCA1 2222/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 S1PR5 4042/4885S1PR1 4600/4885FUCA1 2600/4885
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.