SCHEMBL18638271

SCHEMBL18638271

COc1ccccc1NC(=O)C(C)S

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
LPAR1 Q92633 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 4/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ANPEP P15144 1/20 0.55

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
SCHEMBL13596172 0.86 POLB (0.62) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL6348301 0.85 POLB (0.61) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL536527 0.83 POLB (0.59) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL31040567 0.82 POLB (0.77) POLBLPAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4554983 0.82 POLB (0.77) POLBLPAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13255726 0.82 POLB (0.62) POLBLPAR1ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL8974944 0.82 ALDH1A1 (0.60) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL8930775 0.82 POLB (0.58) POLBLPAR1ALDH1A1MAPTTSHR
Benzene SCHEMBL7277187 0.81 TSHR (0.58) POLBLPAR1ALDH1A1MAPTTSHR
SCHEMBL12125175 0.81 KMT2A (0.76) POLBLPAR1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 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 (1 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 POLB 430/4885LPAR1 3579/4885ALDH1A1 3413/4885

“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.