SCHEMBL18878152

SCHEMBL18878152

CC/C(=N\[S@+]([O-])C(C)(C)C)c1ccc(C)o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
GAA P10253 2/20 0.32
CHRNA7 P36544 1/20 0.32
KLK7 P49862 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL567269 0.79
SCHEMBL17988329 0.73 HSD17B10 (0.52) ALDH1A1L3MBTL1HSD17B10HPGDTSHR
SCHEMBL568110 0.70 CHRNA4 (0.34) CHRNA4
SCHEMBL3439381 0.70 CHRNA4 (0.34) CHRNA4
SCHEMBL20424521 0.67 GAA (0.32) ALDH1A1GAACYP1A2CYP2C19
SCHEMBL20424523 0.67 GAA (0.32) ALDH1A1GAACYP1A2CYP2C19
SCHEMBL21259828 0.67 GABRA1 (0.35) GAA
SCHEMBL21248346 0.67 GABRA1 (0.35) GAA
SCHEMBL12450721 0.67 USP2 (0.36) ALDH1A1TSHRGAACYP2C19
SCHEMBL21259812 0.65 ALDH1A1 (0.47) ALDH1A1HPGDPOLBCHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170144996-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885L3MBTL1 2913/4885HSD17B10 3396/4885
US-20200140418-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885L3MBTL1 2913/4885HSD17B10 3396/4885
US-10370363-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885L3MBTL1 2913/4885HSD17B10 3396/4885
US-11040960-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885L3MBTL1 2913/4885HSD17B10 3396/4885
US-20180170916-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 ALDH1A1 4057/4885L3MBTL1 2913/4885HSD17B10 3398/4885

“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.