SCHEMBL18878112

SCHEMBL18878112

COC(=O)c1cc(F)cc(F)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 4/20 0.40
HDAC4 P56524 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 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
SCHEMBL14719381 0.85 SLC6A4 (0.41) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL21621554 0.85 SLC6A4 (0.45) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL20703659 0.83 KDM4E (0.50) HDAC1HDAC6MAPTCA12CA1
SCHEMBL31024720 0.83 CA12 (0.46) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL17724093 0.83 CA12 (0.46) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL27433790 0.83 CA12 (0.50) NPC1SMN1; SMN2HDAC1HDAC6MAPT
SCHEMBL1997531 0.82 CES2 (0.61) CES2CES1SLC6A4SLC6A3NPC1
SCHEMBL21000818 0.81 GAA (0.42) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL21198962 0.81 NOTUM (0.42) SLC6A3HDAC1HDAC6MAPTCA12
SCHEMBL18765520 0.81 ABL1 (0.45) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-11820759-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2023-11-21 US disclosed
US-11040960-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2021-06-22 US disclosed
US-10988464-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2021-04-27 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-20200039969-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2020-02-06 US disclosed
US-10370363-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2019-08-06 US disclosed
US-10336736-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2019-07-02 US disclosed
US-20180170916-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2018-06-21 US disclosed
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-05-24 US disclosed
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-05-24 US disclosed
US-9834545-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2017-12-05 US disclosed
US-9834545-B2 Modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2017-12-05 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
US-20170144997-A1 MODULATORS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2017-05-25 US disclosed
US-20170144997-A1 MODULATORS OF CHEMOKINE RECEPTORS 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 (11 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-10988464-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-10336736-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-20200039969-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-20170144997-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-20170144996-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 CES2 3922/4885CES1 4005/4885SLC6A4 4533/4885
US-20200140418-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 CES2 3922/4885CES1 4005/4885SLC6A4 4533/4885
US-11820759-B2 Modulators of chemokine receptors CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-10370363-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 CES2 3922/4885CES1 4005/4885SLC6A4 4533/4885
US-20180141934-A1 MODULATORS OF CHEMOKINE RECEPTORS CCR5, CXCR3, CCR2 CES2 2738/4885CES1 2855/4885SLC6A4 3089/4885
US-11040960-B2 Inhibitors of CXCR2 CXCR2, CXCR3, CXCR1 CES2 3922/4885CES1 4005/4885SLC6A4 4533/4885
US-20180170916-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 CES2 3920/4885CES1 4004/4885SLC6A4 4533/4885

“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.