SCHEMBL216708

SCHEMBL216708

CC(C)c1ccc(S(=O)(=O)Cl)c(C(C)C)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.32
SLC9A1 P19634 1/20 0.30
SLC9A2 Q9UBY0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL30010765 1.00 TRPV4 (0.38) TRPV4L3MBTL1SLC9A1SLC9A2ALDH1A1
Tetrazole SCHEMBL9634294 0.82
SCHEMBL971368 0.82 L3MBTL1 (0.32) L3MBTL1SLC9A1SLC9A2ALDH1A1HPGD
SCHEMBL719443 0.80 FABP3 (0.41) L3MBTL1SLC9A1SLC9A2ALDH1A1HPGD
SCHEMBL3925075 0.80 CA1 (0.39) L3MBTL1SLC9A1SLC9A2ALDH1A1
SCHEMBL10980384 0.80 L3MBTL1 (0.32) L3MBTL1SLC9A1SLC9A2ALDH1A1HPGD
SCHEMBL10435622 0.78 L3MBTL1 (0.31) L3MBTL1
Hydrochloric Acid SCHEMBL1005423 0.78 FABP3 (0.40) L3MBTL1SLC9A1SLC9A2HPGD
Ammonia Solution, Strong SCHEMBL11578768 0.78 FABP3 (0.40) L3MBTL1SLC9A1SLC9A2HPGD
SCHEMBL9164110 0.78 SLC9A1 (0.33) L3MBTL1SLC9A1SLC9A2ALDH1A1HPGD

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 1240 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105910-B Hydroxycarbamimidoyl phenylalanine derivative, pharmaceutical composition and application 北京悦康科创医药科技股份有限公司 2024-04-12 CN claimed
CN-110590547-A Method for synthesizing prostacyclin derivative 开曼化学股份有限公司 2019-12-20 CN claimed
US-10155716-B2 Amine salts of a prostacyclin analog CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2018-12-18 US claimed
US-20180141889-A1 METHODS OF SYNTHESIZING A PROSTACYCLIN ANALOG CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2018-05-24 US claimed
US-20180118656-A1 AMINE SALTS OF A PROSTACYCLIN ANALOG CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2018-05-03 US claimed
CN-107033601-A A kind of cable for solar photovoltaic generation system 安徽省无为县经纬电缆附件有限公司 2017-08-11 CN claimed
US-20160289158-A1 Amine Salts of a Prostacyclin Analog CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2016-10-06 US claimed
EP-3068752-A1 AMINE SALTS OF A PROSTACYCLIN ANALOG Cayman Chemical Company Incorporated (US) 2016-09-21 EP claimed
CN-105722812-A Amine salts of prostacyclin analog 开曼化学股份有限公司 2016-06-29 CN claimed
US-20150315114-A1 Methods of Synthesizing a Prostacyclin Analog CAYMAN CHEMICAL COMPANY INCORPORATED 2015-11-05 US claimed
CN-1714094-A Cardiolipin compositions their methods of preparation and use NEOPHARM INC (US) 2005-12-28 CN claimed
US-20050181037-A1 Cardiolipin compositions their methods of preparation and use NEOPHARM, INC. (US) 2005-08-18 US claimed
EP-1513853-A2 CARDIOLIPIN COMPOSITIONS, METHODS OF PREPARATION AND USE Neopharm, Inc. (US) 2005-03-16 EP claimed
WO-2004062569-A2 CARDIOLIPIN COMPOSITIONS THEIR METHODS OF PREPARATION AND USE NEOPHARM, INC. (US) 2004-07-29 WO claimed
WO-2003099830-A2 CARDIOLIPIN COMPOSITIONS, METHODS OF PREPARATION AND USE NEOPHARM, INC. (US) 2003-12-04 WO claimed
EP-1155027-B1 SYNTHESIS OF LABELLED OLIGONUCLEOTIDES ON SOLID-SUPPORTS APPLERA CORP (US) 2003-10-01 EP claimed
US-6255476-B1 REACTING A LABELLED SOLID SUPPORT OF GIVEN FORMULA TO REMOVE AN ACID CLEAVABLE PROTECTING GROUP, ADDING A 5'-PHOSPHORAMIDITE, 3'-PROTECTED NUCLEOSIDE AND AN ACTIVATOR TO FROM A BOND PE CORPORATION (NY) 2001-07-03 US claimed
US-6096916-A Synthesis of D-3 phosphorylated phosphoinositides and analogues NUTRIMED BIOTECH (US) 2000-08-01 US claimed
US-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US claimed
WO-1994019363-A1 PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160289158-A1 Amine Salts of a Prostacyclin Analog PTGIS, PTGIR, PTGER1 TRPV4 1019/4885L3MBTL1 4874/4885SLC9A1 474/4885
US-20150315114-A1 Methods of Synthesizing a Prostacyclin Analog PTGIS, CYP11B2, CYP11B1 TRPV4 1706/4885L3MBTL1 3600/4885SLC9A1 921/4885
US-20180141889-A1 METHODS OF SYNTHESIZING A PROSTACYCLIN ANALOG PTGIS, CYP11B1, CYP11B2 TRPV4 2000/4885L3MBTL1 3475/4885SLC9A1 979/4885
US-20050181037-A1 Cardiolipin compositions their methods of preparation and use LIPA, LCLAT1, PHOSPHO1 TRPV4 3420/4885L3MBTL1 2597/4885SLC9A1 1696/4885
US-10155716-B2 Amine salts of a prostacyclin analog PTGIS, PTGIR, PTGER1 TRPV4 1019/4885L3MBTL1 4874/4885SLC9A1 474/4885
US-20180118656-A1 AMINE SALTS OF A PROSTACYCLIN ANALOG PTGIS, PTGIR, PTGER1 TRPV4 1019/4885L3MBTL1 4874/4885SLC9A1 474/4885

“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.