SCHEMBL17540682

SCHEMBL17540682

COC(=O)CC1(CSc2ccncc2-c2ccc(C#N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.45
▸ BACE1 P56817 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LATS1 O95835 1/20 0.32

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
SCHEMBL18979059 0.88 SLC22A12 (0.56) SLC22A12KCNA5KDM4EL3MBTL1
SCHEMBL17540595 0.88 SLC22A12 (0.58) SLC22A12
SCHEMBL19240220 0.84 SLC22A12 (0.39) SLC22A12KDM4EL3MBTL1
SCHEMBL18979146 0.82 SLC22A12 (0.37) SLC22A12BACE1KCNA5P2RX7PORCN
SCHEMBL18979062 0.79 SLC22A12 (0.61) SLC22A12
SCHEMBL19240224 0.79 SLC22A12 (0.59) SLC22A12
SCHEMBL22938888 0.78 SLC22A12 (0.53) SLC22A12
SCHEMBL18978870 0.77 SLC22A12 (0.59) SLC22A12LATS1
SCHEMBL18978872 0.76 SLC22A12 (0.46) SLC22A12GAAKMT2AKDM4ELATS1
Darbinurad SCHEMBL17540573 0.76 SLC22A12 (0.72) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 251/4885BACE1 2145/4885GAA 253/4885
US-20180022736-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARATION THEREOF, AND USE THEREOF CA7, CYP2C9, CA9 SLC22A12 251/4885BACE1 2145/4885GAA 253/4885

“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.

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