SCHEMBL21980399

SCHEMBL21980399

CCOC(=O)c1sc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL20690721 0.94 ALDH1A1 (0.52) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL19993934 0.76 ALDH1A1 (0.65) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL14945134 0.70 ALDH1A1 (0.60) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL16643779 0.70 ALDH1A1 (0.60) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL16643982 0.69 ALDH1A1 (0.60) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL18909848 0.69 ALDH1A1 (0.58) ALDH1A1HPGDTSHRPKMSMN1; SMN2
SCHEMBL28345598 0.69 CNR1 (0.41) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL21640164 0.68 EPHX1 (0.50) SMN1; SMN2
SCHEMBL23421378 0.67 ABCB1 (0.40) SMN1; SMN2MAPTLMNA
SCHEMBL1093850 0.67 NR1H2 (0.53) ALDH1A1HPGDSMN1; SMN2CYP2C9

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
EP-3660023-B1 THIENOPYRIMIDINEDIONE COMPOUNDS AS ACC INHIBITORS AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2023-03-08 EP disclosed
CN-110959007-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-109305976-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
US-11186587-B2 Compound as ACC inhibitor and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2021-11-30 US disclosed
EP-3660023-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2020-06-03 EP disclosed
US-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
CN-110959007-A Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2020-04-03 CN 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-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF ACACA, ACACB, ACAT2 ALDH1A1 87/4885HPGD 390/4885TSHR 4515/4885
US-11186587-B2 Compound as ACC inhibitor and use thereof ACACA, ACACB, ACAT2 ALDH1A1 87/4885HPGD 390/4885TSHR 4515/4885

“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.