SCHEMBL24328780

SCHEMBL24328780

Nc1cc2c(c(F)c1C(=O)O)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL30884747 0.86 ALDH1A1 (0.42) MAPTALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL25082646 0.86 ALDH1A1 (0.42) MAPTALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL25082647 0.82 MAPT (0.39) MAPTALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL30884741 0.82 MAPT (0.39) MAPTALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL22208563 0.81 SMN1; SMN2 (0.45) ALDH1A1KDM4EL3MBTL1TDP1SMN1; SMN2
SCHEMBL31697147 0.81 SMN1; SMN2 (0.45) ALDH1A1KDM4EL3MBTL1TDP1SMN1; SMN2
SCHEMBL11267151 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL24328813 0.76 MAPT (0.46) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL30884755 0.73 HTT (0.38) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL25082794 0.73 HTT (0.38) MAPTALDH1A1KDM4EL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
CN-115215808-A Compositions and methods for treating cancer 加利福尼亚大学董事会 2022-10-21 CN disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
WO-2022061202-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-24 WO disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 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-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 MAPT 389/4885ALDH1A1 2649/4885KDM4E 3091/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 MAPT 466/4885ALDH1A1 2584/4885KDM4E 3422/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR MAPT 393/4885ALDH1A1 2784/4885KDM4E 3386/4885

“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.