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SCHEMBL5464993

SCHEMBL5464993

CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCNC(=O)C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.80
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ EPHX1 P07099 1/20 0.42
▸ CA3 P07451 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10231797 0.98 CA14 (0.78) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6946470 0.94 CA14 (0.76) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL25932928 0.94 CA14 (0.72) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10232583 0.93 CA14 (0.70) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12201127 0.93 CA14 (0.70) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL24215034 0.92 CA14 (0.69) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1274571 0.89 CA14 (1.00) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL20067626 0.88 CA14 (0.67) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10182494 0.87 CA14 (0.78) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3560937 0.85 CA14 (0.64) CA14ALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 — — US disclosed
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 — — US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 — — US disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 — — WO 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CA14 863/4885ALDH1A1 709/4885POLB 109/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 CA14 3485/4885ALDH1A1 3405/4885POLB 2693/4885

“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.