Sugi Predict

Sugi Predict / Compounds / SCHEMBL19010015

SCHEMBL19010015

SCHEMBL19010015

CC[C@H](C)c1cnc2c(ccc3cc([C@@H](C)CC)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ COPS5 Q92905 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32

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
SCHEMBL10247397 0.83 CYP11B1 (0.38) CCR1CCR5CCR8HSD17B10RAB9A
SCHEMBL13706081 0.79 CCR1 (0.52) CCR1CCR5CCR8ALOX15TSHR
SCHEMBL14467508 0.78 CYP1A2 (0.52) ALDH1A1HSD17B10TSHRRAB9AKMT2A
SCHEMBL13228790 0.78 ALDH1A1 (0.38) CCR1CCR5CCR8ALDH1A1GAA
SCHEMBL9167387 0.74 ALDH1A1 (0.53) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL14239247 0.74 CDK8 (0.48) CDK2GSK3B
SCHEMBL12326066 0.73 ALDH1A1 (0.44) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL12388280 0.73 GAA (0.37) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL12387623 0.73 GAA (0.37) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL25150552 0.73 APP (0.38) ALDH1A1GAAUSP2PKMHPGD

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-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS THE UNIVERSITY OF CHICAGO (US) 2017-06-29 — — US disclosed
US-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS THE UNIVERSITY OF CHICAGO (US) 2017-06-29 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY CCR1 793/4885CCR5 1296/4885CCR8 1670/4885
US-20170182486-A1 METAL-ORGANIC FRAMEWORKS CONTAINING NITROGEN-DONOR LIGANDS FOR EFFICIENT CATALYTIC ORGANIC TRANSFORMATIONS NCLN, MDH1, NNMT CCR1 1909/4885CCR5 1760/4885CCR8 3466/4885

“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.