SCHEMBL21680653

SCHEMBL21680653

COC(=O)NC[C@H]1C[C@H](NC(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 2/20 0.33
CYP2D6 P10635 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
TNF P01375 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK14 Q16539 1/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21680652 1.00 TSHR (0.36) TSHRPKMSMN1; SMN2EPHX1CYP2D6
SCHEMBL1687826 0.83 TSHR (0.45) TSHRALDH1A1
SCHEMBL8156249 0.81 TSHR (0.39) TSHRPKMSMN1; SMN2EPHX1TNF
SCHEMBL8168454 0.81 TSHR (0.41) TSHRPKMSMN1; SMN2EPHX1MEN1
SCHEMBL21707215 0.80 BTK (0.47) EPHX1KMT2AEPHX2
SCHEMBL28551553 0.80 BTK (0.47) EPHX1KMT2AEPHX2
SCHEMBL4788635 0.77 NPSR1 (0.36) TSHRSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL21079841 0.77 NPSR1 (0.36) TSHRSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL21162002 0.77 PKM (0.36) TSHRPKMSMN1; SMN2EPHX1CHRNB2
SCHEMBL25956363 0.77 PKM (0.36) TSHRPKMSMN1; SMN2EPHX1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 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 (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-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS TSHR 2596/4885PKM 300/4885SMN1; SMN2 653/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS TSHR 2596/4885PKM 300/4885SMN1; SMN2 653/4885

“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.