SCHEMBL19409462

SCHEMBL19409462

C#CCC(Cc1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.46
MME P08473 2/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL14921504 0.83 CTSS (0.49) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL2973301 0.79 MAPK1 (0.68) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL3959317 0.79 MAPK1 (0.68) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL3897966 0.79 MAPK1 (0.68) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL2543478 0.77 HPGD (0.60) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL3730596 0.77 CTRB1 (0.50) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL14320632 0.77 CTRB1 (0.50) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL21628079 0.77 MME (0.50) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL9272431 0.77 HPGD (0.60) CTRB1MMECYP3A4MAPK1NPC1
SCHEMBL8837460 0.77 MME (0.73) CTRB1MME

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-11584759-B2 Macrocyclic kinase inhibitor HITGEN INC. (CN) 2023-02-21 US disclosed
EP-3783000-B1 MACROCYCLIC KINASE INHIBITOR HITGEN INC (CN) 2022-07-06 EP disclosed
US-20210147443-A1 MACROCYCLIC KINASE INHIBITOR HITGEN INC. (CN) 2021-05-20 US disclosed
EP-3783000-A1 MACROCYCLIC KINASE INHIBITOR Hitgen Inc. (CN) 2021-02-24 EP disclosed
US-20170281620-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY PARION SCIENCES, INC. (US) 2017-10-05 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 (3 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-20210147443-A1 MACROCYCLIC KINASE INHIBITOR MAP3K20, TNK2, NTRK1 CTRB1 3634/4885MME 3430/4885CYP3A4 4787/4885
US-20170281620-A1 CHEMICALLY AND METABOLICALLY STABLE DIPEPTIDE POSSESSING POTENT SODIUM CHANNEL BLOCKER ACTIVITY CACNA1B, SCN1B, KCNB1 CTRB1 923/4885MME 298/4885CYP3A4 988/4885
US-11584759-B2 Macrocyclic kinase inhibitor MAP3K20, TNK2, NTRK1 CTRB1 3634/4885MME 3430/4885CYP3A4 4787/4885

“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.