Sugi Predict

Sugi Predict / Compounds / SCHEMBL18910568

SCHEMBL18910568

SCHEMBL18910568

CNC(C(=O)NC/C=C/C(=O)OC)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CCR2 P41597 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17447425 0.83 KDM4E (0.36) TSHRCYP3A4CYP2D6LMNAKDM4E
SCHEMBL18905206 0.82 KDM4E (0.34) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL17445847 0.80 KDM4E (0.33) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11534783 0.69 ALOX5 (0.44) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL4446997 0.69 ALOX5 (0.44) TSHRCYP3A4CYP2D6CYP2C9ALOX15
Hydrochloric Acid SCHEMBL6379454 0.68 ALOX5 (0.42) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL28085691 0.67 ALDH1A1 (0.43) TSHRCYP2C19KDM4EPOLBHPGD
SCHEMBL17445799 0.67 POLB (0.41) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL13447237 0.66 ALOX5 (0.44) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL17445791 0.65 HDAC3 (0.53) CYP3A4CYP2C9CYP2C19LMNAKDM4E

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-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NORTHWESTERN UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NORTHWESTERN UNIVERSITY (US) 2017-06-01 — — 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-20170152228-A1 SCREENING METHODS FOR THE BINDING AFFINITY OF CHEMICAL ENTITIES TO BIOLOGICAL MOLECULES AND NEDD4-1 INHIBITORS IDENTIFIED BY THE SCREENING METHODS NEDD4, STUB1, CUL1 TSHR 4352/4885CYP3A4 4564/4885CYP2D6 4403/4885
US-10273208-B2 Screening methods for the binding affinity of chemical entities to biological molecules and NEDD4-1 inhibitors identified by the screening methods NEDD4, STUB1, CUL1 TSHR 4352/4885CYP3A4 4564/4885CYP2D6 4403/4885

“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.