SCHEMBL16675439

SCHEMBL16675439

CCOC(=O)Cn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 2/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PDE4A P27815 3/20 0.49
ADORA2A P29274 3/20 0.49

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
SCHEMBL7999341 0.83 MAPK1 (0.59) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL10112859 0.83 ADORA2B (0.62) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL8361726 0.82 MAPK1 (0.55) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL10695234 0.82 MAPK1 (0.57) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL659913 0.80 TSHR (0.52) ALDH1A1CYP3A4PMP22SMN1; SMN2LMNA
SCHEMBL381684 0.80 PDE4A (0.71) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL12260494 0.80 SMN1; SMN2 (0.76) MAPK1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL7464093 0.79 MAPK1 (0.57) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL16675435 0.78 MAPK1 (0.64) ALDH1A1MAPK1CYP3A4PMP22SMN1; SMN2
SCHEMBL1495090 0.78 PDE4A (0.76) ALDH1A1MAPK1CYP3A4PMP22SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 US disclosed
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel HYDRA BIOSCIENCES, INC. (US) 2019-03-05 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2017-09-28 US disclosed
EP-3193880-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-07-26 EP disclosed
US-9403826-B2 Compositions and methods for the treatment of inflammatory disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 US disclosed
US-9403826-B2 Compositions and methods for the treatment of inflammatory disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 US disclosed
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 WO disclosed
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 WO disclosed
US-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
US-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 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-10519158-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 ALDH1A1 706/4885MAPK1 1383/4885CYP3A4 2400/4885
US-10221177-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 ALDH1A1 706/4885MAPK1 1383/4885CYP3A4 2400/4885
US-20170275285-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 ALDH1A1 706/4885MAPK1 1383/4885CYP3A4 2400/4885
US-20150119409-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISORDERS BRCA1, PTGER1, EPAS1 ALDH1A1 538/4885MAPK1 1412/4885CYP3A4 592/4885
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 ALDH1A1 706/4885MAPK1 1383/4885CYP3A4 2400/4885

“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.