SCHEMBL3854546

SCHEMBL3854546

COC(=O)c1cc(Cl)nc(SCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
METAP2 P50579 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
DRD2 P14416 2/20 0.45
TBXA2R P21731 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44

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
SCHEMBL31296541 1.00 HPGD (0.48) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL30695503 0.82 HPGD (0.70) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL3855655 0.79 KMT2A (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3711270 0.76 PIK3CA (0.61) HPGDALDH1A1LMNADRD2TBXA2R
SCHEMBL3289235 0.76 KDM4E (0.47) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL730969 0.75 LMNA (0.59) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL30931811 0.75 LMNA (0.59) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL20872587 0.75 L3MBTL1 (0.48) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL29628550 0.75 L3MBTL1 (0.48) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL31726517 0.75 L3MBTL1 (0.54) HPGDALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. 2025-09-18 US disclosed
EP-4519251-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE Esperion Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023215220-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2023-11-09 WO disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP HPGD 2737/4885ALDH1A1 661/4885TSHR 4644/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HPGD 672/4885ALDH1A1 1523/4885TSHR 4560/4885
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ACLY, CS, ATP5ME HPGD 1140/4885ALDH1A1 792/4885TSHR 4502/4885

“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.