SCHEMBL654111

SCHEMBL654111

O=S(=O)(c1ccccc1Cl)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
CYP3A4 P08684 4/20 0.64
MAPK1 P28482 2/20 0.64
NFKB1 P19838 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP1A2 P05177 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP2D6 P10635 1/20 0.64
MYLK Q15746 1/20 0.64
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
GMNN O75496 1/20 0.62
PMP22 Q01453 1/20 0.62
HTR6 P50406 3/20 0.54
TSHR P16473 3/20 0.52
CHRM4 P08173 2/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL30610303 1.00 USP2 (0.66) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL3244492 0.94 CYP3A4 (0.74) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL2959421 0.91 POLB (0.57) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL10723724 0.87 CHRM4 (0.64) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL7450856 0.83 CYP3A4 (0.58) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL31684034 0.81 TSHR (0.78) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL4555453 0.81 TSHR (0.78) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL10037158 0.81 USP2 (0.51) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL29764343 0.81 CYP3A4 (0.55) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL5352749 0.81 ALDH1A1 (0.67) USP2CYP3A4MAPK1NFKB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-1049700-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-11-08 EP disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 USP2 4039/4885CYP3A4 3471/4885MAPK1 2193/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 USP2 2542/4885CYP3A4 4396/4885MAPK1 2140/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP2 4074/4885CYP3A4 4291/4885MAPK1 1826/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP2 4074/4885CYP3A4 4291/4885MAPK1 1826/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 USP2 4074/4885CYP3A4 4291/4885MAPK1 1826/4885
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 USP2 1201/4885CYP3A4 128/4885MAPK1 4198/4885

“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.