SCHEMBL18148187

SCHEMBL18148187

COc1c2c(cc(NS(=O)(=O)c3nccs3)c1OCC(=O)NCc1ccco1)C(=O)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.45
▸ MAPT P10636 5/20 0.43
▸ TSHR P16473 4/20 0.43
▸ HPGD P15428 5/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 6/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL18148189 0.86 ALDH1A1 (0.46) ALDH1A1MAPTTSHRHPGDMAPK1
SCHEMBL18148059 0.86 PTGS1 (0.40) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL18148058 0.86 PTGS1 (0.40) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL18148221 0.82 SLC40A1 (0.34) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL18148063 0.75 ALDH1A1 (0.42) ALDH1A1MAPTTSHRHPGDMAPK1
SCHEMBL18148204 0.74 PTGS1 (0.41) ALDH1A1MAPTHPGDPOLBL3MBTL1
SCHEMBL18148207 0.74 PTGS1 (0.41) ALDH1A1MAPTHPGDPOLBL3MBTL1
SCHEMBL18147986 0.73 SLC40A1 (0.33) ALDH1A1KMT2AMEN1PKMLMNA
SCHEMBL18147955 0.73 PTGS1 (0.41) ALDH1A1MAPTTSHRHPGDPOLB
SCHEMBL18147957 0.73 PTGS1 (0.41) ALDH1A1MAPTTSHRHPGDPOLB

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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 — — US disclosed
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 — — US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 — — US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 — — 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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885MAPT 2137/4885TSHR 2655/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 ALDH1A1 4731/4885MAPT 2137/4885TSHR 2655/4885

“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.

Send feedback