Sugi Predict

Sugi Predict / Compounds / SCHEMBL855813

SCHEMBL855813

SCHEMBL855813

CC(=O)c1ccc(CCl)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL3058890 0.81 TDP1 (0.45) HTTTDP1SMN1; SMN2HPGDKMT2A
SCHEMBL13039993 0.81 NPC1 (0.47) HTTTDP1SMN1; SMN2HPGDKMT2A
SCHEMBL1669583 0.81 TDP1 (0.67) HTTTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL855399 0.81 TDP1 (0.67) HTTTDP1SMN1; SMN2HPGDKMT2A
SCHEMBL19801525 0.79 TDP1 (0.44) HTTTDP1SMN1; SMN2HPGDALDH1A1
SCHEMBL854763 0.79 HTT (0.44) HTTTDP1SMN1; SMN2HPGDKMT2A
SCHEMBL4675294 0.79 HTT (0.44) HTTTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13964076 0.79 HTT (0.44) HTTTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4673140 0.79 HTT (0.49) HTTSMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL189224 0.79 HTT (0.73) HTTSMN1; SMN2HPGDKMT2AALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021235964-A1 PROCEDURE FOR OBTAINING FLEXIBLE EXPANDABLE MATERIAL (FEM) RESISTANT TO COMBUSTION USING BIOPLASTIFICIZERS SMARTFIREBLOCK DOO BEOGRAD-CUKARICA (RS) 2021-11-25 — — WO disclosed
US-20180065944-A1 METHODS OF PRODUCING ALKYLFURANS MICROMIDAS, INC. (US) 2018-03-08 — — US disclosed
US-9908862-B2 Methods of producing alkylfurans MICROMIDAS, INC. (US) 2018-03-06 — — US disclosed
US-9840486-B2 Methods of producing alkylfurans MICROMIDAS, INC. (US) 2017-12-12 — — US disclosed
US-20170267654-A1 METHODS OF PRODUCING ALKYLFURANS MICROMIDAS, INC. (US) 2017-09-21 — — US disclosed
US-20160200700-A1 METHODS OF PRODUCING ALKYLFURANS MICROMIDAS, INC. (US) 2016-07-14 — — US disclosed
CN-105658700-A Compounds and methods for producing nylon 6 英派尔科技开发有限公司 2016-06-08 — — CN disclosed
EP-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 — — EP disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 — — US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 — — US disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 — — WO disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 — — WO disclosed
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 — — EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 — — US disclosed
CN-1178913-C Aromatic heterocycle compounds having HIV integrase inhibiting activities ��Ұ����ҩ��ʽ���� 2004-12-08 — — CN disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 — — US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 — — US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 — — US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 — — CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 — — 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 (4 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-20180065944-A1 METHODS OF PRODUCING ALKYLFURANS MGMT, DHPS, DHFR HTT 2521/4885TDP1 2454/4885SMN1; SMN2 2116/4885
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 HTT 1204/4885TDP1 306/4885SMN1; SMN2 4107/4885
US-20170267654-A1 METHODS OF PRODUCING ALKYLFURANS MGMT, DIMT1, TUFM HTT 2271/4885TDP1 3380/4885SMN1; SMN2 2218/4885
US-20160200700-A1 METHODS OF PRODUCING ALKYLFURANS MGMT, DHPS, DHFR HTT 2521/4885TDP1 2454/4885SMN1; SMN2 2116/4885

“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.