SCHEMBL10112980

SCHEMBL10112980

COc1cnc(I)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38

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
SCHEMBL18348202 0.81 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL10112981 0.78 ACHE (0.43) ALDH1A1CYP3A4CYP1A2MAPK1USP2
SCHEMBL4296773 0.77 DYRK1B (0.36) ALDH1A1CYP3A4CYP1A2SMN1; SMN2MEN1
SCHEMBL30358854 0.77 SMN1; SMN2 (0.39) ALDH1A1CYP3A4CYP1A2SMN1; SMN2CYP2C19
SCHEMBL18361944 0.77 CYP3A4 (0.45) ALDH1A1CYP3A4MAPK1USP2SMN1; SMN2
SCHEMBL27812302 0.77 MEN1 (0.36) ALDH1A1CYP1A1CYP1B1SMN1; SMN2KDM4E
SCHEMBL28503043 0.76 MAOB (0.51) ALDH1A1CYP1A2MAPK1SMN1; SMN2PDGFRB
SCHEMBL29846144 0.76 MAOB (0.51) ALDH1A1CYP1A2MAPK1SMN1; SMN2PDGFRB
SCHEMBL10993021 0.76 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL14820095 0.76 CA12 (0.43) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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 (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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CA12 230/4885CA1 207/4885CA2 314/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CA12 281/4885CA1 202/4885CA2 282/4885

“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.