SCHEMBL18010609

SCHEMBL18010609

O=C(O)c1cc(CCc2ccc(F)cc2)on1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
ENPP2 Q13822 2/20 0.43
NPC1 O15118 2/20 0.43
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR2 P25025 1/20 0.41
NR3C2 P08235 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL15931904 0.86 THRB (0.51) THRBRAB9ASMN1; SMN2POLBP4HTM
SCHEMBL8283554 0.85 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2POLBNPC1FFAR1
SCHEMBL17967233 0.84 DAO (0.48) RAB9ASMN1; SMN2POLBENPP2NPC1
SCHEMBL17309743 0.84 HCAR2 (0.49) RAB9ASMN1; SMN2POLBNPC1NR3C2
SCHEMBL15931682 0.81 THRB (0.47) THRBRAB9ASMN1; SMN2POLBNPC1
SCHEMBL31643942 0.76 ALDH1A1 (0.42) RAB9ASMN1; SMN2POLBNPC1
SCHEMBL6821314 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2POLBNPC1
SCHEMBL5449783 0.76 DAO (0.48) THRBRAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL15931975 0.76 NPC1 (0.60) RAB9ASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL15932310 0.76 HDAC6 (0.52) RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 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 (2 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 THRB 1667/4885RAB9A 810/4885SMN1; SMN2 3625/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 THRB 1579/4885RAB9A 916/4885SMN1; SMN2 3532/4885

“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.