SCHEMBL2844727

SCHEMBL2844727

CC(C)N(c1ncccn1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.30
CTSL P07711 1/20 0.30
PTPRC P08575 1/20 0.30
CTSS P25774 1/20 0.30
PTPN13 Q12923 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
Carbamic Acid SCHEMBL2847020 0.84 CYP3A4 (0.38) TSHRCYP1A2CYP3A4
SCHEMBL10573107 0.78 HSP90AA1 (0.33) HSP90AA1
SCHEMBL12873561 0.74 TSHR (0.34) HDAC8HSP90AA1HTTTSHR
SCHEMBL11571395 0.74 ESR1 (0.32)
SCHEMBL1225311 0.72 CYP2D6 (0.47) TSHRCYP1A2
SCHEMBL20515576 0.72 HSP90AA1 (0.35) HSP90AA1
SCHEMBL32679727 0.71 LMNA (0.39) CYP1A2GAA
SCHEMBL12873564 0.69 TAAR1 (0.36) TSHR
SCHEMBL10519597 0.68 TRPM8 (0.36)
SCHEMBL9736537 0.68 SMN1; SMN2 (0.41) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 US disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 US disclosed
US-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
US-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 US disclosed
US-7579466-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
EP-1996559-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-12-03 EP disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
WO-2007101165-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 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 (8 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-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 HDAC8 3179/4885HSP90AA1 2566/4885HTT 3277/4885
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP HDAC8 2532/4885HSP90AA1 1606/4885HTT 3376/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP HDAC8 2532/4885HSP90AA1 1606/4885HTT 3376/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 HDAC8 4345/4885HSP90AA1 2523/4885HTT 2669/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP HDAC8 1567/4885HSP90AA1 2780/4885HTT 1427/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 HDAC8 2752/4885HSP90AA1 2582/4885HTT 2514/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 HDAC8 1104/4885HSP90AA1 759/4885HTT 4877/4885
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 HDAC8 3179/4885HSP90AA1 2566/4885HTT 3277/4885

“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.