SCHEMBL17540562

SCHEMBL17540562

CCOC(=O)CCc1ccncc1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 18/20 0.55
SLC22A6 Q4U2R8 2/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL21350635 0.85 SLC22A12 (0.54) SLC22A12SLC22A6SLC22A11ABCG2CYP4F2
SCHEMBL17540560 0.85 SLC22A12 (0.69) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19240219 0.81 SLC22A12 (0.58) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL17545598 0.80 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL18105453 0.77 SLC22A12 (0.77) SLC22A12
SCHEMBL28238871 0.77 CCNC (0.59) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL17540598 0.75 SLC22A12 (0.61) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL14919143 0.74 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL26661046 0.74 CYP4F2 (0.63) CYP4F2CYP4A11
SCHEMBL28642447 0.73 CCNC (0.79) SLC22A12CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573908-B Carboxylic acid compound, and preparation method and use thereof 益方生物科技(上海)股份有限公司 2021-02-05 CN disclosed
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2018-01-25 US disclosed
US-9856239-B1 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2018-01-02 US disclosed
US-9856239-B1 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2018-01-02 US disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 US disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 US disclosed
US-9809580-B2 Carboxylic acid compound, method for preparation thereof, and use thereof INVENTISBIO SHANGHAI LTD. (CN) 2017-11-07 US disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 US disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 US disclosed
US-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF InventisBio Co., Ltd. (CN) 2017-08-17 US disclosed
EP-3181557-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181557-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-06-21 EP disclosed
WO-2016023460-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF 上海页岩科技有限公司 2016-02-18 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 (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-20170233376-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 SLC22A12 251/4885SLC22A6 205/4885SLC22A11 178/4885
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 SLC22A12 251/4885SLC22A6 205/4885SLC22A11 178/4885

“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.