SCHEMBL17447291

SCHEMBL17447291

CC(C)(C)OC(=O)NCc1ccc2[nH]ccc2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KDM4A O75164 1/20 0.38
TACR1 P25103 1/20 0.37
KCNA5 P22460 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
JAK2 O60674 2/20 0.37

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
SCHEMBL17442704 0.80 NOTUM (0.40) P2RX7MTNR1AMTNR1BMAPT
SCHEMBL17447292 0.77 KLKB1 (0.43) L3MBTL1CACNA1HCACNA1BCACNA1CRPS6KA1
SCHEMBL12234545 0.77 RPS6KA1 (0.43) L3MBTL1RPS6KA1KDM4AKCNA5CYP1A2
SCHEMBL17447242 0.77 GPR84 (0.42) L3MBTL1CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL19100705 0.75 CTSL (0.58) CTSLCTSSCTSKTACR1CYP1A2
SCHEMBL14920053 0.75 RPS6KA1 (0.42) L3MBTL1RPS6KA1CTSSCTSKKDM4A
SCHEMBL19085509 0.75 RPS6KA1 (0.47) P2RX7L3MBTL1RPS6KA1CTSSCTSK
SCHEMBL29726426 0.75 RPS6KA1 (0.42) L3MBTL1RPS6KA1KDM4AKCNA5HDAC10
SCHEMBL20095633 0.75 RPS6KA1 (0.42) L3MBTL1RPS6KA1CTSSCTSKKDM4A
SCHEMBL29467981 0.75 RPS6KA1 (0.42) L3MBTL1RPS6KA1KDM4AKCNA5IDO1

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
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 US disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 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 (8 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 P2RX7 4140/4885L3MBTL1 3410/4885CACNA1H 4814/4885

“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.