SCHEMBL10896901

SCHEMBL10896901

C/C(=C\CN(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD81 P60033 1/20 0.33
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL22346 1.00 CD81 (0.33) CD81PTGS1AKR1C3
Chloromethane SCHEMBL5155285 0.95 CD81 (0.31) CD81PTGS1AKR1C3
SCHEMBL14490234 0.81 CYP1A2 (0.31)
SCHEMBL17350523 0.79 CD81 (0.30) CD81
SCHEMBL28968539 0.79
SCHEMBL23530327 0.78 TDP1 (0.32)
SCHEMBL2064601 0.78 TDP1 (0.32)
SCHEMBL26608136 0.78 ALDH1A1 (0.33)
SCHEMBL19360135 0.78 ALDH1A1 (0.33)
SCHEMBL28968548 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
EP-2788000-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-10-15 EP disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 WO disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 WO disclosed
US-4604347-A Analytical element for dry analysis FUJI PHOTO FILM CO., LTD. (JP) 1986-08-05 US disclosed
EP-0116361-A2 Analytical element for dry analysis FUJI PHOTO FILM CO., LTD. (JP) 1984-08-22 EP disclosed
US-4042476-A TITANIUM DIOXIDE-ACRYLIC POLYMER EMULSION CELANESE CORPORATION (US) 1977-08-16 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 CD81 4160/4885PTGS1 211/4885AKR1C3 1096/4885

“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.