SCHEMBL23748845

SCHEMBL23748845

C=CCC(C)C(=O)OCCl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11213886 0.81 TDP1 (0.44) TSHRMEN1KMT2ATDP1LMNA
SCHEMBL356446 0.81 ALDH1A1 (0.39) TSHRTDP1LMNACYP3A4
SCHEMBL31693092 0.81 ALDH1A1 (0.39) TSHRTDP1LMNACYP3A4
SCHEMBL18465494 0.81 ALDH1A1 (0.39) TSHRTDP1LMNACYP3A4
SCHEMBL23200430 0.80 TSHR (0.40) TSHRMEN1KMT2ATDP1LMNA
Water SCHEMBL2996871 0.79 ALDH1A1 (0.37) TSHRTDP1LMNACYP3A4
SCHEMBL11521228 0.79 TSHR (0.43) TSHRTDP1LMNACYP3A4
Hydrochloric Acid SCHEMBL28975958 0.79 ALDH1A1 (0.37) TSHRTDP1LMNACYP3A4
SCHEMBL11793343 0.79 TSHR (0.55) TSHRTDP1USP2LMNACYP3A4
SCHEMBL4188929 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 EP disclosed
CN-112888438-A Prodrugs of CGRP antagonists 拜尔哈文制药股份有限公司 2021-06-01 CN 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB TSHR 1421/4885MEN1 1015/4885KMT2A 3669/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB TSHR 1421/4885MEN1 1015/4885KMT2A 3669/4885

“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.