SCHEMBL18878153

SCHEMBL18878153

CC[C@@H](NC(=O)OC(C)(C)C)c1ncc(C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 4/20 0.42
CTSK P43235 1/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
XBP1 P17861 3/20 0.40
PKM P14618 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL16254386 0.83 ALDH1A1 (0.61) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL18435448 0.83 ALDH1A1 (0.61) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL1705902 0.77 CXCR2 (0.48) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL10277769 0.75 ALDH1A1 (0.44) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL29954883 0.74 CTSK (0.44) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL29957138 0.74 CTSK (0.44) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL12980652 0.72 C3AR1 (0.49) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL4603000 0.71 RAB9A (0.47) ALDH1A1CTSK
SCHEMBL13489680 0.71 CTSK (0.43) ALDH1A1TP53TSHRCTSKKMT2A
SCHEMBL12980639 0.71 C3AR1 (0.46) ALDH1A1TP53TSHRCTSKKMT2A

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-20220009911-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2022-01-13 US disclosed
US-11040960-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2021-06-22 US disclosed
EP-3377059-B1 INHIBITORS OF CXCR2 CHEMOCENTRYX INC (US) 2020-10-21 EP disclosed
US-20200140418-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2020-05-07 US disclosed
US-10370363-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2019-08-06 US disclosed
US-20180170916-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2018-06-21 US disclosed
US-20180170916-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2018-06-21 US disclosed
US-9809581-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2017-11-07 US disclosed
US-9809581-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2017-11-07 US disclosed
US-20170144996-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2017-05-25 US disclosed
US-20170144996-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2017-05-25 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 (6 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-20220009911-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3133/4885
US-20170144996-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3133/4885
US-20200140418-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3133/4885
US-10370363-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3133/4885
US-11040960-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3133/4885
US-20180170916-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885TP53 432/4885TSHR 3134/4885

“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.