SCHEMBL352907

SCHEMBL352907

[CH2]c1ccc(OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NQO2 P16083 1/20 0.39
LMNA P02545 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16959355 0.81 ACHE (0.39) MAPTACHEALDH1A1CYP3A4CA2
SCHEMBL27090 0.80 CA2 (0.54) ACHEALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2811538 0.78 CA2 (0.41) MAPTACHEALDH1A1CYP3A4TSHR
SCHEMBL16959303 0.76 ESR1 (0.46) MAPTALDH1A1MAPK1LMNAKDM4E
SCHEMBL16955304 0.76 TSHR (0.39) MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL12326161 0.75 PDGFRB (0.58) MAPTACHEALOX15ALDH1A1CYP3A4
SCHEMBL144308 0.75 ACHE (0.68) MAPTACHEALOX15ALDH1A1CYP3A4
SCHEMBL29352952 0.75 ACHE (0.68) MAPTACHEALOX15ALDH1A1CYP3A4
SCHEMBL318031 0.74 RAB9A (0.50) ALDH1A1MAPK1LMNASMN1; SMN2PDGFRB
SCHEMBL16797105 0.74 CA2 (0.38) MAPTACHEALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 US claimed
US-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 US claimed
EP-1830869-B1 METHOD OF TREATMENT OR PROPHYLAXIS SPINIFEX PHARM PTY LTD (AU) 2013-05-22 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN UNIVERSITY OF QUEENSLAND (AU) 2010-11-18 US claimed
US-7795275-B2 Method of treatment or prophylaxis UNIQUEST PTY LIMITED (AU) 2010-09-14 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 US claimed
US-5916920-A CONTROLLING NEUROTRANSMITTER RECPETORS; NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
CN-1202103-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1998-12-16 CN claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
WO-1997037986-A1 ENDOTHELIN ANTAGONISTS WITH ETHER-LINKED GROUPS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP claimed
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 WO claimed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 WO claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 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 (3 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA MAPT 2275/4885ACHE 729/4885ALOX15 4600/4885
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 MAPT 1427/4885ACHE 151/4885ALOX15 956/4885
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 MAPT 1904/4885ACHE 251/4885ALOX15 415/4885

“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.