SCHEMBL17761925

SCHEMBL17761925

CC(C)Cc1cccc(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.50
PARP1 P09874 1/20 0.46
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
DAO P14920 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL21102086 0.84 GPR84 (0.47) GPR84PARP1PRMT5WDR77MMP1
SCHEMBL21102091 0.81 GPR84 (0.45) GPR84PARP1PRMT5WDR77MMP1
SCHEMBL9264319 0.80 GPR84 (0.56) GPR84PARP1PRMT5WDR77DAO
SCHEMBL4286679 0.78 GPR84 (0.42) GPR84PARP1PRMT5WDR77MMP1
SCHEMBL2632725 0.76
SCHEMBL13327029 0.74 DAO (0.41) GPR84PARP1DAOPDE3BPDE3A
SCHEMBL8089044 0.73 GPR84 (0.45) GPR84PRMT5WDR77MMP1MMP2
SCHEMBL8885478 0.72 GPR84 (0.72) GPR84DAOMMP1MMP9MMP12
SCHEMBL31370089 0.72 GPR84 (0.41) GPR84PRMT5WDR77MMP1MMP2
SCHEMBL10680028 0.72 SLC7A5 (0.50) TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-06-29 US disclosed
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 US disclosed
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2020-06-11 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US 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-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application IDO1, IDO2, INMT GPR84 1069/4885PARP1 2434/4885PRMT5 82/4885
US-20200206225-A1 PYRUVATE KINASE MODULATORS AND USE THEREOF PDK1, PDK2, PDK4 GPR84 2299/4885PARP1 1052/4885PRMT5 585/4885
US-20220395503-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 GPR84 2307/4885PARP1 471/4885PRMT5 1430/4885
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION IDO1, IDO2, INMT GPR84 1069/4885PARP1 2434/4885PRMT5 82/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 GPR84 2556/4885PARP1 3165/4885PRMT5 1964/4885

“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.