SCHEMBL222005

SCHEMBL222005

O=C1CCN(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MMP1 P03956 4/20 0.45
MMP9 P14780 4/20 0.45
MMP13 P45452 4/20 0.45
ADAM17 P78536 4/20 0.45
OPRL1 P41146 1/20 0.45
POLB P06746 1/20 0.44
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL12971547 0.84 CYP2D6 (0.50) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4428909 0.78 CYP2D6 (0.35) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7389442 0.75 DRD4 (0.52) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4726 0.74 SIGMAR1 (0.68) MEN1KMT2APOLBSIGMAR1LMNA
Acetic Acid SCHEMBL27896934 0.73 SIGMAR1 (0.57) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6969295 0.73 DRD2 (0.48) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6096440 0.73 MMP13 (0.49) SMN1; SMN2CHRM2MMP1MMP9MMP13
SCHEMBL6095559 0.73 MMP13 (0.56) MMP1MMP9MMP13ADAM17ADAMTS4
Iodide SCHEMBL1697595 0.73 SIGMAR1 (0.65) MEN1KMT2APOLBSIGMAR1LMNA
Hydrochloric Acid SCHEMBL5671727 0.73 SIGMAR1 (0.65) MEN1KMT2APOLBSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829510-A Dispersible formulation of an anti-inflammatory agent PHARMACIA & UPJOHN CO LTD (US) 2006-09-06 CN claimed
EP-1656159-A2 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS Pharmacia & Upjohn Company LLC (US) 2006-05-17 EP claimed
EP-1651210-A1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT Pharmacia & Upjohn Company LLC (US) 2006-05-03 EP claimed
WO-2005009472-A2 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-03 WO claimed
WO-2005009436-A1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-03 WO claimed
US-20050009931-A1 Dispersible pharmaceutical composition for treatment of mastitis and otic disorders BRITTEN NANCY JEAN (US) 2005-01-13 US claimed
US-20050004098-A1 Dispersible formulation of an anti-inflammatory agent BRITTEN NANCY JEAN (US) 2005-01-06 US claimed
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-11 US disclosed
WO-2018033639-A1 LACTONE INTERMEDIATES OF NICOTINAMIDE RIBOSIDE AND NICOTINATE RIBOSIDE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-02-22 WO disclosed
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-20 US disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
EP-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 EP disclosed
WO-2006078941-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
EP-1656159-A2 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS Pharmacia & Upjohn Company LLC (US) 2006-05-17 EP disclosed
EP-1651210-A1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT Pharmacia & Upjohn Company LLC (US) 2006-05-03 EP disclosed
WO-2005009472-A2 DISPERSIBLE PHARMACEUTICAL COMPOSITION FOR TREATMENT OF MASTITIS AND OTIC DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-03 WO disclosed
WO-2005009436-A1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-03 WO disclosed
US-20050009931-A1 Dispersible pharmaceutical composition for treatment of mastitis and otic disorders BRITTEN NANCY JEAN (US) 2005-01-13 US disclosed
US-20050004098-A1 Dispersible formulation of an anti-inflammatory agent BRITTEN NANCY JEAN (US) 2005-01-06 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 (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-20050004098-A1 Dispersible formulation of an anti-inflammatory agent TNF, IL6, IL1A CYP2D6 1022/4885CYP3A4 2906/4885CYP2C9 2711/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 CYP2D6 1278/4885CYP3A4 1343/4885CYP2C9 688/4885
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT CYP2D6 2667/4885CYP3A4 2808/4885CYP2C9 2357/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT CYP2D6 2667/4885CYP3A4 2808/4885CYP2C9 2357/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 CYP2D6 1278/4885CYP3A4 1343/4885CYP2C9 688/4885
US-20050009931-A1 Dispersible pharmaceutical composition for treatment of mastitis and otic disorders SLC26A4, OTC, ABCB11 CYP2D6 559/4885CYP3A4 1998/4885CYP2C9 2041/4885

“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.