SCHEMBL9212477

SCHEMBL9212477

O=C(O)c1ccc(I)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
SRD5A2 P31213 4/20 0.52
TTR P02766 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TPMT P51580 3/20 0.48
ALOX15 P16050 1/20 0.48
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
PTGS2 P35354 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL31226955 0.83 TSHR (0.43) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL774819 0.83 TSHR (0.65) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL8976292 0.81 MAPT (0.42) TSHRMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2723610 0.79 TPMT (0.58) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL29353637 0.79 TSHR (1.00) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL371998 0.79 TSHR (1.00) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL8352471 0.79 TSHR (1.00) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL29364242 0.79 TPMT (0.58) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL2769863 0.77 TSHR (0.71) TSHRSRD5A2TTRMAPTALDH1A1
SCHEMBL10603908 0.77 TSHR (0.95) TSHRSRD5A2TTRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-2683693-B1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-20140256945-A1 PHOSPHONIC ACID COMPOUNDS AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-09-11 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP disclosed
US-5371075-A Pesticides ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
US-5157029-A Insecticides, miticides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-10-20 US disclosed
US-5057508-A Bicyclo(2-2-1)octanes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-15 US disclosed
US-4965257-A INSECTICIDES, ACARICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-10-23 US disclosed
CN-86106933-A Agricultural chemical compound 1987-04-29 CN disclosed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TSHR 1086/4885SRD5A2 1583/4885TTR 426/4885
US-20140256945-A1 PHOSPHONIC ACID COMPOUNDS AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 TSHR 405/4885SRD5A2 2959/4885TTR 3758/4885

“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.