SCHEMBL18907641

SCHEMBL18907641

COc1ccc(F)cc1C(CO)OC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.53
ACACA Q13085 8/20 0.49
PDE4D Q08499 6/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL16245922 1.00 ACACB (0.53) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL29750586 0.90 ACACB (0.45) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL21816532 0.90 ACACB (0.45) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL22000680 0.89 ACACA (0.49) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL21816530 0.89 ACACA (0.49) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL29750457 0.89 ACACA (0.49) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18908167 0.89 ACACB (0.49) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18883377 0.88 ACACB (0.42) ACACBACACAPDE4ASLC6A2SLC6A4
SCHEMBL21816458 0.88 ACACB (0.44) ACACBACACAPDE4DPDE4APDE4B
SCHEMBL18908179 0.87 ACACB (0.48) ACACBACACAPDE4DPDE4APDE4B

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
CN-110431144-B Cyano-substituted heteroaryl pyrimidone derivatives, and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
CN-110431144-A The heteroaryl hepyramine analog derivative and its preparation method and application that cyano replaces ZHEJIANG HISUN PHARM CO LTD 2019-11-08 CN disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 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 (5 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-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ACACA, COASY, ACACB ACACB 3/4885ACACA 1/4885PDE4D 3031/4885
US-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885PDE4D 2986/4885
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ACACA, COASY, ACACB ACACB 3/4885ACACA 1/4885PDE4D 3031/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885PDE4D 2986/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885PDE4D 2986/4885

“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.