SCHEMBL21998928

SCHEMBL21998928

N[C@@H](CS)C(=O)OC(c1ccccc1)(c1ccc(CC2CCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
CHRM2 P08172 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL3318601 0.85 KIF11 (0.48) KIF11
SCHEMBL23126436 0.79 KLK7 (0.40) CYP2C9CYP2C19HTR2BMAPK14CHRM2
SCHEMBL22622788 0.78 KIF11 (0.48) KIF11
SCHEMBL25055280 0.78 KIF11 (0.48) KIF11
SCHEMBL18558851 0.76 KIF11 (0.47) KIF11CYP2C9
SCHEMBL18558845 0.76 KIF11 (0.47) KIF11CYP2C9
SCHEMBL21385476 0.76 KIF11 (0.47) KIF11CYP2C9
SCHEMBL18847247 0.76 KIF11 (0.47) KIF11CYP2C9
SCHEMBL20341163 0.76 KIF11 (0.47) KIF11CYP2C9
SCHEMBL23125118 0.75 KIF11 (0.47) KIF11KDM4ELMNA

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-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses SYNTHIS THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-05-14 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-11583593-B2 Antibody-ALK5 inhibitor conjugates and their uses ALK, ALKBH5, ALKBH3 KIF11 2812/4885CYP2C9 2692/4885CYP2C19 3531/4885
US-20200147234-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 KIF11 2812/4885CYP2C9 2692/4885CYP2C19 3531/4885

“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.