SCHEMBL9288270

SCHEMBL9288270

CC(C)c1c[nH]c2c(C(=O)O)cc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ AKR1C1 Q04828 2/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35

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
Lithium SCHEMBL17802201 0.98 AKR1C3 (0.38) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL19328315 0.98 AKR1C4 (0.38) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
Lithium Ion SCHEMBL19328316 0.85 GABRA1 (0.36) HSD17B10GABRA1GABRB1PARP14MEN1
SCHEMBL31022882 0.84 GABRA1 (0.42) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL17802163 0.84 NR4A2 (0.49) HSD17B10GABRA1GABRB1PARP14KDM4E
SCHEMBL19708400 0.76 GABRA1 (0.41) GABRA1GABRB1PARP14
SCHEMBL28193901 0.75 HTT (0.52) ACE2PARP14KMT2ACAMKK2KDM4E
SCHEMBL5673618 0.75 GABRA1 (0.39) GABRA1GABRB1PARP14
SCHEMBL9283757 0.73 GABRA1 (0.38) GABRA1GABRB1PARP14
SCHEMBL31023069 0.73 GABRA1 (0.40) GABRA1GABRB1PARP14KMT2APRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 — — EP disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 — — US disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 — — US disclosed
EP-3227275-A1 CD38 INHIBITORS AND METHODS OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-10-11 — — EP disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 — — US disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 — — US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 — — EP disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 — — EP disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 — — WO disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 — — WO disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 — — US disclosed
US-8765792-B2 Indoles GLAXOSMITHKLINE LLC (US) 2014-07-01 — — US disclosed
EP-2646020-A1 INDOLES GlaxoSmithKline LLC (US) 2013-10-09 — — EP disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 — — US disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 — — US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 — — 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-20130245016-A1 INDOLES IDO1, IDO2, INMT AKR1C3 759/4885AKR1C2 500/4885AKR1C1 608/4885
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT CD38, NQO1, NADK AKR1C3 388/4885AKR1C2 544/4885AKR1C1 534/4885

“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.

Send feedback