SCHEMBL14426635

SCHEMBL14426635

O=C1NC(=S)NC(=O)C1=CNc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ METAP1 P53582 2/20 0.45
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ MYC P01106 1/20 0.40
▸ IL1RN P18510 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ BRAF P15056 1/20 0.37

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
SCHEMBL14839892 0.82 ALDH1A1 (0.53) ALDH1A1RAB9AMETAP1TDP1MAPT
SCHEMBL4992242 0.77 PIM1 (0.65) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL4992233 0.77 PIM1 (0.65) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL12858950 0.72 ALDH1A1 (0.38) ALDH1A1RAB9AMETAP1TDP1MAPT
SCHEMBL12258536 0.72 KMT2A (0.54) ALDH1A1RAB9AKDM4ETDP1MAPT
SCHEMBL480661 0.72 PIM1 (0.47) ALDH1A1RAB9AKDM4EKMT2APIM1
SCHEMBL480660 0.72 PIM1 (0.47) ALDH1A1RAB9AKDM4EKMT2APIM1
SCHEMBL8728283 0.69 TSHR (0.52) ALDH1A1RAB9AKDM4EKMT2A
SCHEMBL7554316 0.69 RAB9A (0.47) ALDH1A1RAB9AKDM4EMETAP1TDP1
SCHEMBL1086165 0.67 ALDH1A1 (0.56) ALDH1A1RAB9AKDM4EKMT2A

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-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — 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-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 ALDH1A1 4878/4885RAB9A 3405/4885KDM4E 1518/4885

“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.

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