SCHEMBL15399305

SCHEMBL15399305

C[C@@H](NC(=O)O)C(O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
ALOX5 P09917 1/20 0.32
RIPK1 Q13546 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CPA1 P15085 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1439228 1.00 EPHX2 (0.40) EPHX2CA12CA1CA2MMP2
SCHEMBL14910149 1.00 EPHX2 (0.40) EPHX2CA12CA1CA2MMP2
SCHEMBL16164720 1.00 EPHX2 (0.40) EPHX2CA12CA1CA2MMP2
SCHEMBL14910147 1.00 EPHX2 (0.40) EPHX2CA12CA1CA2MMP2
SCHEMBL4975541 0.92 CA12 (0.44) EPHX2CA12CA1CA2MMP2
SCHEMBL15562277 0.92 CA12 (0.41) EPHX2CA12CA1CA2MMP2
SCHEMBL4971533 0.85 EPHX2 (0.33) EPHX2CA12CA1CA2MMP2
SCHEMBL4972141 0.80 MAPK1 (0.30)
SCHEMBL21813769 0.79
SCHEMBL21813741 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
US-9221826-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-02 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-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 EPHX2 4425/4885CA12 4121/4885CA1 4028/4885

“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.