SCHEMBL21559637

SCHEMBL21559637

CC(C)n1cc(C(=O)OCc2ccccc2)nc1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAP3K5 Q99683 1/20 0.43
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
STAT1 P42224 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL21290242 0.82 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL21559738 0.80 KDM4E (0.44) TDP1KMT2ALMNACYP3A4KDM4E
SCHEMBL24510712 0.77 ALDH1A1 (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL24070239 0.77 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL21350549 0.75 ALDH1A1 (0.52) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL21923219 0.74 KMT2A (0.43) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL25698449 0.73 KMT2A (0.43) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL13733547 0.73 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20651056 0.72 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL22946291 0.72 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3LMNA

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-20240067629-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2024-02-29 US disclosed
US-11753399-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2023-09-12 US disclosed
US-11267801-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2022-03-08 US disclosed
US-20210171498-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-10836746-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
US-20190345136-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 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 (6 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-11267801-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20240067629-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20210171498-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-10836746-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-20190345136-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885
US-11753399-B2 Therapeutic compounds NPC1, CCR5, FURIN TDP1 4124/4885KMT2A 3635/4885SLC6A2 129/4885

“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.