Sugi Predict

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SCHEMBL6113403

SCHEMBL6113403

Cc1cccc(C)c1C(=O)OC(=O)c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA7 P43166 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ NR4A2 P43354 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL5406463 0.89 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6113405 0.88 TSHR (0.50) TDP1ALDH1A1HPGDHSD17B10POLB
SCHEMBL1044586 0.85 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL18209596 0.85 CD44 (0.45) CA12CA1CA2CA7CA9
SCHEMBL9700205 0.85 CES2 (0.50) TDP1
SCHEMBL16838359 0.83 TDP1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL403705 0.83 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL18563614 0.82 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL16838391 0.82 TDP1 (0.68) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL15008746 0.82 NFE2L2 (0.45) HPGDPOLBSMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 — — US disclosed
US-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 — — US disclosed
EP-2757102-B1 Intermediate for producing a cyclic sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2016-03-23 — — EP disclosed
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-17 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — US disclosed
US-9145441-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-09-29 — — US disclosed
US-9062092-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-06-23 — — US disclosed
US-8969591-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-03 — — US disclosed
EP-2463281-B1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEM IND LTD (JP) 2014-10-22 — — EP disclosed
EP-2757102-A1 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative Wako Pure Chemical Industries, Ltd. (JP) 2014-07-23 — — EP disclosed
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-22 — — US disclosed
US-8673963-B2 Method for producing cyclic sulfonic acid ester and intermediate thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 — — US disclosed
US-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2014-01-30 — — US disclosed
EP-2463281-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 — — EP disclosed
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 — — US disclosed
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 — — 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 (7 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-20140030221-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CA12 2838/4885CA1 4036/4885CA2 4276/4885
US-20140142324-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 CA12 282/4885CA1 178/4885CA2 747/4885
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CA12 2838/4885CA1 4036/4885CA2 4276/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CA12 2838/4885CA1 4036/4885CA2 4276/4885
US-20150361132-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CA12 2838/4885CA1 4036/4885CA2 4276/4885
US-20120130089-A1 METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF STS, TST, SULT1A1 CA12 282/4885CA1 178/4885CA2 747/4885
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CA12 2838/4885CA1 4036/4885CA2 4276/4885

“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.