SCHEMBL6349888

SCHEMBL6349888

COC(=O)C1=C(NC(C)c2ccccc2)CSC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ALOX5 P09917 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
SCHEMBL6349882 1.00 MAPT (0.49) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL18946078 0.82 SLC6A3 (0.46) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL24515659 0.78 MAPT (0.43) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL24515660 0.78 MAPT (0.43) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL15420176 0.76 SLC6A3 (0.41) MAPTALDH1A1KMT2ALMNA
SCHEMBL3861132 0.75 MAPT (0.41) MAPTALDH1A1HPGDKMT2ATSHR
SCHEMBL11048701 0.73 MAPT (0.53) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL6725960 0.71 CYP2D6 (0.49) KDM4EALDH1A1KMT2ARECQLLMNA
SCHEMBL1044302 0.71 CYP2D6 (0.49) KDM4EALDH1A1KMT2ARECQLLMNA
SCHEMBL6719047 0.71 CYP2D6 (0.46) KDM4EKMT2ARECQLLMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 — — US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 — — US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 — — US disclosed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 — — CN disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 — — 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 MAPT 4623/4885KDM4E 4475/4885ALDH1A1 1357/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 MAPT 4623/4885KDM4E 4475/4885ALDH1A1 1357/4885

“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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