SCHEMBL5628199

SCHEMBL5628199

COc1cc(B(O)O)cc(OC)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TUBB1 Q9H4B7 6/20 0.35
TUBB4A P04350 4/20 0.35
TUBB P07437 4/20 0.35
TUBA3C P0DPH7 4/20 0.35
TUBA1B P68363 4/20 0.35
TUBA4A P68366 4/20 0.35
TUBB4B P68371 4/20 0.35
TUBB3 Q13509 4/20 0.35
TUBB2A Q13885 4/20 0.35
TUBB8 Q3ZCM7 4/20 0.35
TUBA3E Q6PEY2 4/20 0.35
TUBA1A Q71U36 4/20 0.35
TUBA1C Q9BQE3 4/20 0.35
TUBB6 Q9BUF5 4/20 0.35
TUBB2B Q9BVA1 4/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34

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
SCHEMBL4641977 0.90 ENPP2 (0.38) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL10165239 0.88 ENPP2 (0.36) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL21048124 0.86 ENPP2 (0.40) ENPP2CA1CA2LMNARAB9A
SCHEMBL29490924 0.83 HTR2A (0.35) ENPP2CA1CA2
SCHEMBL16654543 0.83 HTR2A (0.35) ENPP2CA1CA2
SCHEMBL7435094 0.79 CYP3A4 (0.42) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL4671676 0.79 ENPP2 (0.43) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL3327791 0.79 CA1 (0.48) ENPP2CA1CA2CYP3A4MAPT
SCHEMBL24433 0.79 CYP3A4 (0.56) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL4109993 0.77 ENPP2 (0.41) ENPP2CA1CA2TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-10668067-B2 Pyridine sulfonamides AMGEN INC. (US) 2020-06-02 US disclosed
US-20190167682-A1 PYRIDINE SULFONAMIDES AMGEN INC. (US) 2019-06-06 US disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 US disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH ENPP2 1436/4885CA1 2904/4885CA2 422/4885
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 ENPP2 460/4885CA1 4674/4885CA2 2579/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ENPP2 2995/4885CA1 4598/4885CA2 2662/4885
US-20190167682-A1 PYRIDINE SULFONAMIDES TRPV1, TRPA1, TRPV5 ENPP2 490/4885CA1 2445/4885CA2 355/4885
US-10668067-B2 Pyridine sulfonamides TRPV1, TRPA1, TRPV5 ENPP2 490/4885CA1 2445/4885CA2 355/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 ENPP2 1809/4885CA1 2768/4885CA2 4185/4885

“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.