SCHEMBL5657889

SCHEMBL5657889

COc1ccc2ccc(Oc3ccccc3CC(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55
▸ CXCL8 P10145 2/20 0.50
▸ CHRM1 P11229 1/20 0.48
▸ CAMK2A Q9UQM7 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP12 P39900 3/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ MMP16 P51512 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ SLC1A5 Q15758 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL5659411 0.90 CXCL8 (0.56) CXCL8CHRM1CAMK2AMEN1KMT2A
SCHEMBL9152146 0.87 SLC1A5 (0.57) HSD17B10CXCL8CHRM1CAMK2AMMP2
SCHEMBL9148385 0.86 SLC1A5 (0.56) HSD17B10CXCL8CHRM1CAMK2AMMP2
SCHEMBL5658425 0.83 CYP1A2 (0.53) CYP1A2CYP2A6SLC1A5RAB9AKDM4E
SCHEMBL7606285 0.81 THRB (0.53) HSD17B10CXCL8CHRM1CAMK2A
SCHEMBL5660028 0.80 CYP1A2 (0.53) CYP1A2CYP2A6SLC1A5RAB9AKDM4E
SCHEMBL6175515 0.80 CAMK2A (0.68) HSD17B10PTGS1AKR1C3AKR1C2CAMK2A
SCHEMBL8969152 0.79 CAMK2A (0.62) CXCL8CHRM1CAMK2ASLC1A5
SCHEMBL5660471 0.79 KDM4E (0.62) AKR1C3AKR1C2CYP1A2CYP2A6RAB9A
SCHEMBL11089473 0.78 GAA (0.51) CXCL8CHRM1CAMK2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 — — US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 — — EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 — — US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 — — US disclosed
EP-1492795-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 — — EP disclosed
WO-2003084961-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 — — 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 (2 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B HSD17B10 936/4885PTGS1 31/4885AKR1C3 621/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B HSD17B10 1078/4885PTGS1 20/4885AKR1C3 322/4885

“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.

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