SCHEMBL18272804

SCHEMBL18272804

CC(C)(C)CC(=O)NNC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 1/20 0.37
HPGD P15428 5/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NPC1 O15118 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL12328388 0.77 MEN1 (0.39) SMN1; SMN2RAB9AMEN1KMT2ACYP1A2
SCHEMBL9563948 0.75 HPGD (0.40) SMN1; SMN2HTTHPGDRAB9AMEN1
SCHEMBL1515479 0.74 PIK3CD (0.41) SMN1; SMN2HTTHPGDRAB9AMEN1
SCHEMBL15498503 0.73
SCHEMBL1515251 0.73
SCHEMBL2409147 0.73 CYP1A2 (0.50) SMN1; SMN2HTTHPGDRAB9AMEN1
Methylamine SCHEMBL8907491 0.71 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDRAB9AMEN1
SCHEMBL6635180 0.71 ALDH1A1 (0.39) SMN1; SMN2HPGDGAAMAPTCA2
SCHEMBL8907480 0.71 HPGD (0.38) SMN1; SMN2HTTHPGDRAB9AMEN1
SCHEMBL12527323 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806404-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-07 US disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 US disclosed
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-21 US disclosed
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 US disclosed
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 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 (7 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-11806404-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C SMN1; SMN2 2022/4885HTT 2417/4885HPGD 3873/4885
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 SMN1; SMN2 1282/4885HTT 4356/4885HPGD 1790/4885
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C SMN1; SMN2 997/4885HTT 2568/4885HPGD 3660/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C SMN1; SMN2 1200/4885HTT 2839/4885HPGD 4044/4885
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES TNFSF11, TNFRSF9, CD40 SMN1; SMN2 4020/4885HTT 2341/4885HPGD 2979/4885
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) KIF5B, KIF23, KIF2C SMN1; SMN2 997/4885HTT 2568/4885HPGD 3660/4885
US-20180169256-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS KIFC1, KIF2C, KIF5B SMN1; SMN2 1662/4885HTT 2881/4885HPGD 4090/4885

“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.