SCHEMBL7819635

SCHEMBL7819635

CC(C)(C)c1nccc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.41
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCC1 P33527 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL7709562 0.74 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL7810609 0.73 HTR2C (0.39) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL12158630 0.73 KDM4E (0.45) HTR2CKDM4EALDH1A1
SCHEMBL17340999 0.72 DRD1 (0.34) —
SCHEMBL14090690 0.71 ADORA2A (0.41) —
SCHEMBL22792921 0.70 KDM4E (0.44) LMNAKDM4EMAPTALDH1A1HTT
SCHEMBL22792393 0.70 KDM4E (0.47) LMNAKDM4EMAPTALDH1A1HTT
SCHEMBL1811426 0.69 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL12004103 0.69 HTR2C (0.49) HTR2CLMNAKDM4EMAPTALDH1A1
SCHEMBL1900422 0.69 HTR2C (0.45) HTR2CLMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 — — US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 — — US disclosed
US-9499523-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-20150361068-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-20150361071-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US 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 (10 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HTR2C 4062/4885LMNA 3676/4885KDM4E 3555/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ HTR2C 2853/4885LMNA 2399/4885KDM4E 944/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS HTR2C 3932/4885LMNA 3573/4885KDM4E 3570/4885
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC HTR2C 4272/4885LMNA 462/4885KDM4E 2761/4885
US-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT2 HTR2C 2986/4885LMNA 1005/4885KDM4E 3246/4885
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD HTR2C 3405/4885LMNA 876/4885KDM4E 3681/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC HTR2C 4272/4885LMNA 462/4885KDM4E 2761/4885
US-20150361071-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD HTR2C 2783/4885LMNA 1877/4885KDM4E 3419/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HTR2C 4062/4885LMNA 3676/4885KDM4E 3555/4885
US-20150361068-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3C2B, PIK3CB HTR2C 3194/4885LMNA 1288/4885KDM4E 4121/4885

“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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