SCHEMBL17605074

SCHEMBL17605074

O=C(O)CCc1cccc(Cl)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.47
▸ GPR17 Q13304 3/20 0.47
▸ PTGER1 P34995 2/20 0.45
▸ PTGER4 P35408 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ PTGER2 P43116 2/20 0.45
▸ SLC22A12 Q96S37 2/20 0.45
▸ AKR1B1 P15121 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ UGT1A9 O60656 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ CXCL8 P10145 1/20 0.41

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
SCHEMBL17605302 0.86 ALDH1A1 (0.39) FFAR1GPR17SLC22A12AKR1B1AKR1B10
SCHEMBL15379086 0.81 PARP1 (0.49) FFAR1GPR17PTGER1PTGER4PTGER3
SCHEMBL1627280 0.81 AKR1B1 (0.57) AKR1B1KMT2AAKR1B10UGT1A9TRPA1
SCHEMBL4699564 0.81 TAAR1 (0.55) FFAR1GPR17PTGER1PTGER4PTGER3
SCHEMBL455219 0.81 FFAR1 (0.59) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL30288127 0.81 FFAR1 (0.59) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL27503091 0.80 FFAR1 (0.48) FFAR1GPR17PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL16239236 0.79 FFAR1 (0.58) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL22089619 0.79 FFAR1 (0.47) FFAR1GPR17PTGER1PTGER4PTGER3
SCHEMBL22102586 0.79 FFAR1 (0.47) FFAR1GPR17PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 — — US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 FFAR1 2557/4885GPR17 4684/4885PTGER1 1192/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A FFAR1 2543/4885GPR17 4689/4885PTGER1 1294/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 FFAR1 2557/4885GPR17 4684/4885PTGER1 1192/4885

“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.

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